CAS
96097-17-5 Purity
96%
96097-17-5 Purity
96%
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2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane
CAS
96097-20-0
Catalog Number
ACM96097200
Category
Other Products
Molecular Weight
268.434780 [g/mol]
Molecular Formula
C17H32O2
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Specification
Synonyms
EINECS 306-100-3, CID6366570, 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane, 96097-20-0
IUPAC Name
2-[(E)-3,3-diethoxybut-1-enyl]-1,1,3-trimethylcyclohexane
Canonical SMILES
CCOC(C)(C=CC1C(CCCC1(C)C)C)OCC
InChI Key
HNVHSPIGJIWWQU-ACCUITESSA-N
Boiling Point
318.7ºC at 760mmHg
Flash Point
84.8ºC
Density
0.906g/cm³
EC Number
306-100-3
Exact Mass
268.24000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C17H32O2.
What are the synonyms of the compound?
The synonyms of the compound are EINECS 306-100-3 and 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane.
What is the molecular weight of the compound?
The molecular weight of the compound is 268.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[(E)-3,3-diethoxybut-1-enyl]-1,1,3-trimethylcyclohexane.
What is the InChI key of the compound?
The InChI key of the compound is HNVHSPIGJIWWQU-ACCUITESSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(C)(C=CC1C(CCCC1(C)C)C)OCC.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
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