1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol

C16H30O — CID 82928785

IUPAC1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2CCCCCC2)C1
InChIInChI=1S/C16H30O/c1-13-10-15(2,3)12-16(17,11-13)14-8-6-4-5-7-9-14/h13-14,17H,4-12H2,1-3H3
InChIKeyXHOZGSBOHBOJKK-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.53
Rot. Bonds1

About 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol

1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 82928785) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol
PubChem CID82928785
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2CCCCCC2)C1
InChIInChI=1S/C16H30O/c1-13-10-15(2,3)12-16(17,11-13)14-8-6-4-5-7-9-14/h13-14,17H,4-12H2,1-3H3
InChIKeyXHOZGSBOHBOJKK-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol (CID 82928785) is 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol is CC1CC(C)(C)CC(O)(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is XHOZGSBOHBOJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-13-10-15(2,3)12-16(17,11-13)14-8-6-4-5-7-9-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol?
1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 82928785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).