cis-1,3-Dimethylcyclohexane

• CAS: 638-04-0
• Catalog Number: ACM638040
• Category: Alkanes
• Molecular Weight: 112.21
• Molecular Formula: C₈H₁₆
• Synonyms: Hexahydro-m-xylene, cis-1,3-Dimethylcyclohexane, 1,3-Dimethylcyclohexane,c&t, Cyclohexane, 1,3-dimethyl-, trans-1,3-Dimethylcyclohexane, 1,3-DIMETHYLCYCLOHEXANE, 118389_ALDRICH, MolPort-003-910-912, CID11564, NSC74161, Cyclohexane, 1,3-dimethyl-, cis-, EINECS 209-707-0, EINECS 211-316-5, NSC 74159, Cyclohexane, 1,3-dimethyl-, trans-, 1,3-DIMETHYLCYCLOHEXANE, Cis-trans, ST5409829, D0699, 1,3-Dimethylcyclohexane, mixture of cis and trans, Cyclohexane, 1,3-dimethyl-, cis- (8CI)(9CI)
• IUPAC Name: 1,3-dimethylcyclohexane
• Canonical SMILES: CC1CCCC(C1)C
• InChI Key: SGVUHPSBDNVHKL-UHFFFAOYSA-N
• Boiling Point: 120ºC(lit.)
• Melting Point: -76ºC
• Flash Point: 42 °F
• Density: 0.784 g/mL at 25ºC(lit.)
• EC Number: 211-316-5
• Exact Mass: 112.12500
• Hazard Statements: H225-H304-H315-H336-H410
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: NONH for all modes of transport
• Safety Description: 16-29-33
• Symbol: GHS02

Custom Q&A

What is the molecular formula of cis-1,3-Dimethylcyclohexane?

The molecular formula of cis-1,3-Dimethylcyclohexane is C8H16.

What is the molecular weight of cis-1,3-Dimethylcyclohexane?

The molecular weight of cis-1,3-Dimethylcyclohexane is 112.21 g/mol.

What is the IUPAC name for cis-1,3-Dimethylcyclohexane?

The IUPAC name for cis-1,3-Dimethylcyclohexane is (1R,3S)-1,3-dimethylcyclohexane.

What is the InChI of cis-1,3-Dimethylcyclohexane?

The InChI of cis-1,3-Dimethylcyclohexane is InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+.

What is the InChIKey of cis-1,3-Dimethylcyclohexane?

The InChIKey of cis-1,3-Dimethylcyclohexane is SGVUHPSBDNVHKL-OCAPTIKFSA-N.

What is the canonical SMILES of cis-1,3-Dimethylcyclohexane?

The canonical SMILES of cis-1,3-Dimethylcyclohexane is CC1CCCC(C1)C.

How many hydrogen bond donor counts are there in cis-1,3-Dimethylcyclohexane?

There are 0 hydrogen bond donor counts in cis-1,3-Dimethylcyclohexane.

How many hydrogen bond acceptor counts are there in cis-1,3-Dimethylcyclohexane?

There are 0 hydrogen bond acceptor counts in cis-1,3-Dimethylcyclohexane.

What is the topological polar surface area of cis-1,3-Dimethylcyclohexane?

The topological polar surface area of cis-1,3-Dimethylcyclohexane is 0Ų.

How many defined atom stereocenter counts are there in cis-1,3-Dimethylcyclohexane?

There are 2 defined atom stereocenter counts in cis-1,3-Dimethylcyclohexane.