1-pentan-2-ylcyclohex-2-en-1-ol

C11H20O — CID 107892794

IUPAC1-pentan-2-ylcyclohex-2-en-1-ol
SMILESCCCC(C)C1(O)C=CCCC1
InChIInChI=1S/C11H20O/c1-3-7-10(2)11(12)8-5-4-6-9-11/h5,8,10,12H,3-4,6-7,9H2,1-2H3
InChIKeyRPTRYPVZXIZJJZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

About 1-pentan-2-ylcyclohex-2-en-1-ol

1-pentan-2-ylcyclohex-2-en-1-ol (PubChem CID 107892794) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-pentan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-pentan-2-ylcyclohex-2-en-1-ol
PubChem CID107892794
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-pentan-2-ylcyclohex-2-en-1-ol
SMILESCCCC(C)C1(O)C=CCCC1
InChIInChI=1S/C11H20O/c1-3-7-10(2)11(12)8-5-4-6-9-11/h5,8,10,12H,3-4,6-7,9H2,1-2H3
InChIKeyRPTRYPVZXIZJJZ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
1-heptylcyclohex-2-en-1-ol
CID 86052671
3-methyl-3-methylcyclohexene
CID 163592791
ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate
CID 54420215
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
3,3-dibutylcyclohexene
CID 174543750
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
(3S)-3-ethyl-3-[(2S)-hexan-2-yl]cyclopentene
CID 168881201
4-butan-2-yl-4-propylcycloheptene
CID 91107019
CID 136861606
CID 136861606
4-amino-1-pentan-2-ylcyclohexan-1-ol
CID 107889037
2-(1-ethylcyclohex-2-en-1-yl)ethanol
CID 11651183

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-pentan-2-ylcyclohex-2-en-1-ol (CID 107892794) is 1-pentan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-pentan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-pentan-2-ylcyclohex-2-en-1-ol is CCCC(C)C1(O)C=CCCC1.
What is the InChIKey of 1-pentan-2-ylcyclohex-2-en-1-ol?
The InChIKey is RPTRYPVZXIZJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-7-10(2)11(12)8-5-4-6-9-11/h5,8,10,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-pentan-2-ylcyclohex-2-en-1-ol?
1-pentan-2-ylcyclohex-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 107892794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).