4-pent-4-enyloxolan-3-ol

C9H16O2 — CID 58158107

IUPAC4-pent-4-enyloxolan-3-ol
SMILESC=CCCCC1COCC1O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-8-6-11-7-9(8)10/h2,8-10H,1,3-7H2
InChIKeyABZCXRWPERHSHQ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds4

About 4-pent-4-enyloxolan-3-ol

4-pent-4-enyloxolan-3-ol (PubChem CID 58158107) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-pent-4-enyloxolan-3-ol.

Molecular Properties

Compound Name4-pent-4-enyloxolan-3-ol
PubChem CID58158107
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-pent-4-enyloxolan-3-ol
SMILESC=CCCCC1COCC1O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-8-6-11-7-9(8)10/h2,8-10H,1,3-7H2
InChIKeyABZCXRWPERHSHQ-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
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-pent-4-enyloxolan-3-ol?
The IUPAC name of 4-pent-4-enyloxolan-3-ol (CID 58158107) is 4-pent-4-enyloxolan-3-ol.
What is the SMILES notation for 4-pent-4-enyloxolan-3-ol?
The canonical SMILES for 4-pent-4-enyloxolan-3-ol is C=CCCCC1COCC1O.
What is the InChIKey of 4-pent-4-enyloxolan-3-ol?
The InChIKey is ABZCXRWPERHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-8-6-11-7-9(8)10/h2,8-10H,1,3-7H2.
What are the key properties of 4-pent-4-enyloxolan-3-ol?
4-pent-4-enyloxolan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enyloxolan-3-ol is sourced from PubChem (CID 58158107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).