1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol

C12H24O2 — CID 103451630

IUPAC1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCC(O)C1(O)CCCCC1
InChIInChI=1S/C12H24O2/c1-10(2)6-7-11(13)12(14)8-4-3-5-9-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyZELKXJQRQHDGHS-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.48
Rot. Bonds4

About 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol

1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol (PubChem CID 103451630) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol
PubChem CID103451630
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCC(O)C1(O)CCCCC1
InChIInChI=1S/C12H24O2/c1-10(2)6-7-11(13)12(14)8-4-3-5-9-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyZELKXJQRQHDGHS-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol (CID 103451630) is 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol is CC(C)CCC(O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol?
The InChIKey is ZELKXJQRQHDGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)6-7-11(13)12(14)8-4-3-5-9-12/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol?
1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 103451630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).