(1-pentylcyclohexyl)methanol

C12H24O — CID 57316979

IUPAC(1-pentylcyclohexyl)methanol
SMILESCCCCCC1(CO)CCCCC1
InChIInChI=1S/C12H24O/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h13H,2-11H2,1H3
InChIKeyABCHJPQOHVSJSO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds5

About (1-pentylcyclohexyl)methanol

(1-pentylcyclohexyl)methanol (PubChem CID 57316979) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (1-pentylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-pentylcyclohexyl)methanol
PubChem CID57316979
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(1-pentylcyclohexyl)methanol
SMILESCCCCCC1(CO)CCCCC1
InChIInChI=1S/C12H24O/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h13H,2-11H2,1H3
InChIKeyABCHJPQOHVSJSO-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-pentylcyclohexyl)methanol?
The IUPAC name of (1-pentylcyclohexyl)methanol (CID 57316979) is (1-pentylcyclohexyl)methanol.
What is the SMILES notation for (1-pentylcyclohexyl)methanol?
The canonical SMILES for (1-pentylcyclohexyl)methanol is CCCCCC1(CO)CCCCC1.
What is the InChIKey of (1-pentylcyclohexyl)methanol?
The InChIKey is ABCHJPQOHVSJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h13H,2-11H2,1H3.
What are the key properties of (1-pentylcyclohexyl)methanol?
(1-pentylcyclohexyl)methanol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylcyclohexyl)methanol is sourced from PubChem (CID 57316979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).