1-cyclohex-2-en-1-ylpropan-2-ol

C9H16O — CID 10464412

IUPAC1-cyclohex-2-en-1-ylpropan-2-ol
SMILESCC(O)CC1C=CCCC1
InChIInChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h3,5,8-10H,2,4,6-7H2,1H3
InChIKeySUDLOAYPERZYIK-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds2

About 1-cyclohex-2-en-1-ylpropan-2-ol

1-cyclohex-2-en-1-ylpropan-2-ol (PubChem CID 10464412) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylpropan-2-ol
PubChem CID10464412
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-cyclohex-2-en-1-ylpropan-2-ol
SMILESCC(O)CC1C=CCCC1
InChIInChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h3,5,8-10H,2,4,6-7H2,1H3
InChIKeySUDLOAYPERZYIK-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
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-cyclohex-2-en-1-ylpropan-2-ol?
The IUPAC name of 1-cyclohex-2-en-1-ylpropan-2-ol (CID 10464412) is 1-cyclohex-2-en-1-ylpropan-2-ol.
What is the SMILES notation for 1-cyclohex-2-en-1-ylpropan-2-ol?
The canonical SMILES for 1-cyclohex-2-en-1-ylpropan-2-ol is CC(O)CC1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylpropan-2-ol?
The InChIKey is SUDLOAYPERZYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h3,5,8-10H,2,4,6-7H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-ylpropan-2-ol?
1-cyclohex-2-en-1-ylpropan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylpropan-2-ol is sourced from PubChem (CID 10464412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).