1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol

C10H16O2 — CID 69042437

IUPAC1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol
SMILESC=CCC(O)C1(O)C=CCCC1
InChIInChI=1S/C10H16O2/c1-2-6-9(11)10(12)7-4-3-5-8-10/h2,4,7,9,11-12H,1,3,5-6,8H2
InChIKeyCXYPUCBZSBWHEN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds3

About 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol

1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol (PubChem CID 69042437) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol
PubChem CID69042437
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol
SMILESC=CCC(O)C1(O)C=CCCC1
InChIInChI=1S/C10H16O2/c1-2-6-9(11)10(12)7-4-3-5-8-10/h2,4,7,9,11-12H,1,3,5-6,8H2
InChIKeyCXYPUCBZSBWHEN-UHFFFAOYSA-N
XLogP1.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol (CID 69042437) is 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol is C=CCC(O)C1(O)C=CCCC1.
What is the InChIKey of 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol?
The InChIKey is CXYPUCBZSBWHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-6-9(11)10(12)7-4-3-5-8-10/h2,4,7,9,11-12H,1,3,5-6,8H2.
What are the key properties of 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol?
1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybut-3-enyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 69042437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).