4-cyclohex-2-en-1-ylbutan-2-ol

C10H18O — CID 14289073

IUPAC4-cyclohex-2-en-1-ylbutan-2-ol
SMILESCC(O)CCC1C=CCCC1
InChIInChI=1S/C10H18O/c1-9(11)7-8-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyJBCPGTFTOFHURE-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds3

About 4-cyclohex-2-en-1-ylbutan-2-ol

4-cyclohex-2-en-1-ylbutan-2-ol (PubChem CID 14289073) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-cyclohex-2-en-1-ylbutan-2-ol
PubChem CID14289073
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-cyclohex-2-en-1-ylbutan-2-ol
SMILESCC(O)CCC1C=CCCC1
InChIInChI=1S/C10H18O/c1-9(11)7-8-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyJBCPGTFTOFHURE-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
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

Menthadienol
CID 527143
Dehydrodihydroionol
CID 62126
p-MENTH-1-EN-9-OL
CID 86753
Limonen-10-ol, (+)-
CID 11019061
Methylcyclohexenyl butanol
CID 85903
1-(Cyclohex-2-en-1-yl)ethan-1-ol
CID 86534
1-Cyclohexyl-2-buten-1-ol (c,t)
CID 5358342
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
4,8-Dimethyl-7-nonen-2-ol
CID 162418
Cyclopentanol, 2-(2-hexen-1-yl)-
CID 6438069
alpha-Ethyl-3-cyclooctene-1-methanol
CID 66934567
5,9-Dimethyl-8-decen-3-ol
CID 89186

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-ylbutan-2-ol?
The IUPAC name of 4-cyclohex-2-en-1-ylbutan-2-ol (CID 14289073) is 4-cyclohex-2-en-1-ylbutan-2-ol.
What is the SMILES notation for 4-cyclohex-2-en-1-ylbutan-2-ol?
The canonical SMILES for 4-cyclohex-2-en-1-ylbutan-2-ol is CC(O)CCC1C=CCCC1.
What is the InChIKey of 4-cyclohex-2-en-1-ylbutan-2-ol?
The InChIKey is JBCPGTFTOFHURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(11)7-8-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of 4-cyclohex-2-en-1-ylbutan-2-ol?
4-cyclohex-2-en-1-ylbutan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-ylbutan-2-ol is sourced from PubChem (CID 14289073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).