3-pent-4-enyloxan-4-one

C10H16O2 — CID 66579569

IUPAC3-pent-4-enyloxan-4-one
SMILESC=CCCCC1COCCC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-9-8-12-7-6-10(9)11/h2,9H,1,3-8H2
InChIKeyPTRVRSOPDLQSKF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds4

About 3-pent-4-enyloxan-4-one

3-pent-4-enyloxan-4-one (PubChem CID 66579569) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-pent-4-enyloxan-4-one.

Molecular Properties

Compound Name3-pent-4-enyloxan-4-one
PubChem CID66579569
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-pent-4-enyloxan-4-one
SMILESC=CCCCC1COCCC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-9-8-12-7-6-10(9)11/h2,9H,1,3-8H2
InChIKeyPTRVRSOPDLQSKF-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
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 3-pent-4-enyloxan-4-one?
The IUPAC name of 3-pent-4-enyloxan-4-one (CID 66579569) is 3-pent-4-enyloxan-4-one.
What is the SMILES notation for 3-pent-4-enyloxan-4-one?
The canonical SMILES for 3-pent-4-enyloxan-4-one is C=CCCCC1COCCC1=O.
What is the InChIKey of 3-pent-4-enyloxan-4-one?
The InChIKey is PTRVRSOPDLQSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-9-8-12-7-6-10(9)11/h2,9H,1,3-8H2.
What are the key properties of 3-pent-4-enyloxan-4-one?
3-pent-4-enyloxan-4-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enyloxan-4-one is sourced from PubChem (CID 66579569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).