3-methylidene-1-(oxolan-2-yl)pentan-1-one

C10H16O2 — CID 66043836

IUPAC3-methylidene-1-(oxolan-2-yl)pentan-1-one
SMILESC=C(CC)CC(=O)C1CCCO1
InChIInChI=1S/C10H16O2/c1-3-8(2)7-9(11)10-5-4-6-12-10/h10H,2-7H2,1H3
InChIKeyHSTYFAQRKPDSEH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 3-methylidene-1-(oxolan-2-yl)pentan-1-one

3-methylidene-1-(oxolan-2-yl)pentan-1-one (PubChem CID 66043836) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methylidene-1-(oxolan-2-yl)pentan-1-one.

Molecular Properties

Compound Name3-methylidene-1-(oxolan-2-yl)pentan-1-one
PubChem CID66043836
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methylidene-1-(oxolan-2-yl)pentan-1-one
SMILESC=C(CC)CC(=O)C1CCCO1
InChIInChI=1S/C10H16O2/c1-3-8(2)7-9(11)10-5-4-6-12-10/h10H,2-7H2,1H3
InChIKeyHSTYFAQRKPDSEH-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
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 3-methylidene-1-(oxolan-2-yl)pentan-1-one?
The IUPAC name of 3-methylidene-1-(oxolan-2-yl)pentan-1-one (CID 66043836) is 3-methylidene-1-(oxolan-2-yl)pentan-1-one.
What is the SMILES notation for 3-methylidene-1-(oxolan-2-yl)pentan-1-one?
The canonical SMILES for 3-methylidene-1-(oxolan-2-yl)pentan-1-one is C=C(CC)CC(=O)C1CCCO1.
What is the InChIKey of 3-methylidene-1-(oxolan-2-yl)pentan-1-one?
The InChIKey is HSTYFAQRKPDSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8(2)7-9(11)10-5-4-6-12-10/h10H,2-7H2,1H3.
What are the key properties of 3-methylidene-1-(oxolan-2-yl)pentan-1-one?
3-methylidene-1-(oxolan-2-yl)pentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(oxolan-2-yl)pentan-1-one is sourced from PubChem (CID 66043836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).