2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol

C14H26O2 — CID 79423781

IUPAC2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CC2(O)CCCCC2)C1
InChIInChI=1S/C14H26O2/c1-11-5-6-13(15)12(9-11)10-14(16)7-3-2-4-8-14/h11-13,15-16H,2-10H2,1H3
InChIKeyJGJGVPGYXQAOQC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.87
Rot. Bonds2

About 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol

2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 79423781) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID79423781
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CC2(O)CCCCC2)C1
InChIInChI=1S/C14H26O2/c1-11-5-6-13(15)12(9-11)10-14(16)7-3-2-4-8-14/h11-13,15-16H,2-10H2,1H3
InChIKeyJGJGVPGYXQAOQC-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol (CID 79423781) is 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)C(CC2(O)CCCCC2)C1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is JGJGVPGYXQAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11-5-6-13(15)12(9-11)10-14(16)7-3-2-4-8-14/h11-13,15-16H,2-10H2,1H3.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol?
2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79423781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).