1-cycloheptyl-2,4-dimethylcyclohexan-1-ol

C15H28O — CID 82929322

IUPAC1-cycloheptyl-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(C2CCCCCC2)C(C)C1
InChIInChI=1S/C15H28O/c1-12-9-10-15(16,13(2)11-12)14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3
InChIKeyZQGIVWUXOUOPOU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.14
Rot. Bonds1

About 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol

1-cycloheptyl-2,4-dimethylcyclohexan-1-ol (PubChem CID 82929322) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-2,4-dimethylcyclohexan-1-ol
PubChem CID82929322
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-cycloheptyl-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(C2CCCCCC2)C(C)C1
InChIInChI=1S/C15H28O/c1-12-9-10-15(16,13(2)11-12)14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3
InChIKeyZQGIVWUXOUOPOU-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol (CID 82929322) is 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(C2CCCCCC2)C(C)C1.
What is the InChIKey of 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol?
The InChIKey is ZQGIVWUXOUOPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12-9-10-15(16,13(2)11-12)14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol?
1-cycloheptyl-2,4-dimethylcyclohexan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 82929322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).