1-(4-methylpentyl)cyclohex-3-en-1-ol

C12H22O — CID 66608445

IUPAC1-(4-methylpentyl)cyclohex-3-en-1-ol
SMILESCC(C)CCCC1(O)CC=CCC1
InChIInChI=1S/C12H22O/c1-11(2)7-6-10-12(13)8-4-3-5-9-12/h3-4,11,13H,5-10H2,1-2H3
InChIKeyPCXBTGYVVOXYPM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-methylpentyl)cyclohex-3-en-1-ol

1-(4-methylpentyl)cyclohex-3-en-1-ol (PubChem CID 66608445) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(4-methylpentyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name1-(4-methylpentyl)cyclohex-3-en-1-ol
PubChem CID66608445
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(4-methylpentyl)cyclohex-3-en-1-ol
SMILESCC(C)CCCC1(O)CC=CCC1
InChIInChI=1S/C12H22O/c1-11(2)7-6-10-12(13)8-4-3-5-9-12/h3-4,11,13H,5-10H2,1-2H3
InChIKeyPCXBTGYVVOXYPM-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)cyclohex-3-en-1-ol?
The IUPAC name of 1-(4-methylpentyl)cyclohex-3-en-1-ol (CID 66608445) is 1-(4-methylpentyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 1-(4-methylpentyl)cyclohex-3-en-1-ol?
The canonical SMILES for 1-(4-methylpentyl)cyclohex-3-en-1-ol is CC(C)CCCC1(O)CC=CCC1.
What is the InChIKey of 1-(4-methylpentyl)cyclohex-3-en-1-ol?
The InChIKey is PCXBTGYVVOXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)7-6-10-12(13)8-4-3-5-9-12/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)cyclohex-3-en-1-ol?
1-(4-methylpentyl)cyclohex-3-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 66608445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).