4-pentylcyclohex-3-ene-1,2-diol

C11H20O2 — CID 91066451

IUPAC4-pentylcyclohex-3-ene-1,2-diol
SMILESCCCCCC1=CC(O)C(O)CC1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h8,10-13H,2-7H2,1H3
InChIKeyXRHUKZJFVJUFDC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds4

About 4-pentylcyclohex-3-ene-1,2-diol

4-pentylcyclohex-3-ene-1,2-diol (PubChem CID 91066451) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-pentylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name4-pentylcyclohex-3-ene-1,2-diol
PubChem CID91066451
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-pentylcyclohex-3-ene-1,2-diol
SMILESCCCCCC1=CC(O)C(O)CC1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h8,10-13H,2-7H2,1H3
InChIKeyXRHUKZJFVJUFDC-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentylcyclohex-3-ene-1,2-diol?
The IUPAC name of 4-pentylcyclohex-3-ene-1,2-diol (CID 91066451) is 4-pentylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for 4-pentylcyclohex-3-ene-1,2-diol?
The canonical SMILES for 4-pentylcyclohex-3-ene-1,2-diol is CCCCCC1=CC(O)C(O)CC1.
What is the InChIKey of 4-pentylcyclohex-3-ene-1,2-diol?
The InChIKey is XRHUKZJFVJUFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-9-6-7-10(12)11(13)8-9/h8,10-13H,2-7H2,1H3.
What are the key properties of 4-pentylcyclohex-3-ene-1,2-diol?
4-pentylcyclohex-3-ene-1,2-diol has a molecular weight of 184.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 91066451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).