2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane

C18H26O2 — CID 67980113

IUPAC2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane
SMILESCCC1CCCC(Cc2cccc(C3OCCO3)c2)C1
InChIInChI=1S/C18H26O2/c1-2-14-5-3-6-15(11-14)12-16-7-4-8-17(13-16)18-19-9-10-20-18/h4,7-8,13-15,18H,2-3,5-6,9-12H2,1H3
InChIKeyGKDVUSYFQCBAQE-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.49
Rot. Bonds4

About 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane

2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane (PubChem CID 67980113) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane
PubChem CID67980113
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane
SMILESCCC1CCCC(Cc2cccc(C3OCCO3)c2)C1
InChIInChI=1S/C18H26O2/c1-2-14-5-3-6-15(11-14)12-16-7-4-8-17(13-16)18-19-9-10-20-18/h4,7-8,13-15,18H,2-3,5-6,9-12H2,1H3
InChIKeyGKDVUSYFQCBAQE-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
2-[3-(2,2-dimethylpropyl)phenyl]-1,3-dioxolane
CID 68727873
2-[3-[2-(2-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980211
2-[3-[2-(2-propylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980277
1,1-diethoxyethane;ethene;3-[(3-ethylcyclohexyl)methyl]benzaldehyde
CID 88539733
[3-(4-ethylcycloheptyl)phenyl]methanamine
CID 123307972
[3-(2-methylpropyl)cyclohexyl]methylbenzene
CID 154060478
1,3-dibenzylcyclooctane
CID 3045388
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
2-amino-3-[3-(1,3-dioxolan-2-yl)phenyl]propanoic acid
CID 69415447

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane (CID 67980113) is 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane is CCC1CCCC(Cc2cccc(C3OCCO3)c2)C1.
What is the InChIKey of 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane?
The InChIKey is GKDVUSYFQCBAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-14-5-3-6-15(11-14)12-16-7-4-8-17(13-16)18-19-9-10-20-18/h4,7-8,13-15,18H,2-3,5-6,9-12H2,1H3.
What are the key properties of 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane?
2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane has a molecular weight of 274.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethylcyclohexyl)methyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).