1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol

C18H34O2 — CID 175602991

IUPAC1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CCC2(O)CCC(C)(C)CC2)CC1
InChIInChI=1S/C18H34O2/c1-15(2)5-9-17(19,10-6-15)13-14-18(20)11-7-16(3,4)8-12-18/h19-20H,5-14H2,1-4H3
InChIKeyFIXWKBCQHPREMG-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.43
Rot. Bonds3

About 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol

1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 175602991) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID175602991
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CCC2(O)CCC(C)(C)CC2)CC1
InChIInChI=1S/C18H34O2/c1-15(2)5-9-17(19,10-6-15)13-14-18(20)11-7-16(3,4)8-12-18/h19-20H,5-14H2,1-4H3
InChIKeyFIXWKBCQHPREMG-UHFFFAOYSA-N
XLogP4.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol (CID 175602991) is 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CCC2(O)CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is FIXWKBCQHPREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-15(2)5-9-17(19,10-6-15)13-14-18(20)11-7-16(3,4)8-12-18/h19-20H,5-14H2,1-4H3.
What are the key properties of 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol?
1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxy-4,4-dimethylcyclohexyl)ethyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 175602991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).