CAS
94200-86-9 Purity
96%
94200-86-9 Purity
96%
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4-(1,1-Dimethylpropyl)-beta-methylcyclohexanepropanol
CAS
94200-93-8
Catalog Number
ACM94200938
Category
Other Products
Molecular Weight
226.398100 [g/mol]
Molecular Formula
C15H30O
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Specification
Synonyms
EINECS 303-573-8, CID11971328, 4-(1,1-Dimethylpropyl)-beta-methylcyclohexanepropanol, 94200-93-8
IUPAC Name
2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]propan-1-ol
Canonical SMILES
CCC(C)(C)C1CCC(CC1)CC(C)CO
InChI Key
VUDFQMZLNWAJIS-UHFFFAOYSA-N
Boiling Point
281.8ºC at 760mmHg
Flash Point
125.4ºC
Density
0.878g/cm³
EC Number
303-573-8
Exact Mass
226.23000
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound identified by PubChem CID 11971328?
The molecular formula is C15H30O.
What is the molecular weight of the compound?
The molecular weight is 226.40 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]propan-1-ol.
What is the InChIKey of the compound?
The InChIKey is VUDFQMZLNWAJIS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 226.229665576 g/mol.
How many heavy atoms are present in the compound?
There are 16 heavy atoms in the compound.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
94200-92-7 Purity
96%
94200-92-7 Purity
96%
