4-methyl-1-(oxolan-3-yl)pent-4-en-1-one

C10H16O2 — CID 114473588

IUPAC4-methyl-1-(oxolan-3-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1CCOC1
InChIInChI=1S/C10H16O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h9H,1,3-7H2,2H3
InChIKeyKWMKMXPZADUHIK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds4

About 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one

4-methyl-1-(oxolan-3-yl)pent-4-en-1-one (PubChem CID 114473588) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-yl)pent-4-en-1-one
PubChem CID114473588
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methyl-1-(oxolan-3-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1CCOC1
InChIInChI=1S/C10H16O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h9H,1,3-7H2,2H3
InChIKeyKWMKMXPZADUHIK-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-Dimethyloxolan-3-yl)but-3-en-1-one
CID 23384679
1-[(3R)-5,5-dimethyloxolan-3-yl]but-3-en-1-one
CID 59911222
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-one
CID 79190486
(4S)-2,4-dimethyl-5-[(2S)-oxolan-2-yl]pent-1-en-3-one
CID 122545541
(4S)-2,4-dimethyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 122545542
(4S)-2,4-dimethyl-5-[(2R)-oxolan-2-yl]pent-1-en-3-one
CID 122545548
2-Methyl-1-[4-(2-methylprop-2-enoyl)oxolan-3-yl]prop-2-en-1-one
CID 129205477
4-(5-Methyl-4-oxohex-5-enyl)oxolan-2-one
CID 143714538
Ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone
CID 145266085
2-Ethanethioyl-5-methyl-1-[3-(2-methylprop-2-enyl)oxolan-3-yl]hexan-1-one
CID 167107124
Oxolan-3-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
CID 176864826
1-(3,3-Dimethyloxolan-2-yl)-3-methylpent-4-en-2-one
CID 15667973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one?
The IUPAC name of 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one (CID 114473588) is 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one is C=C(C)CCC(=O)C1CCOC1.
What is the InChIKey of 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one?
The InChIKey is KWMKMXPZADUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h9H,1,3-7H2,2H3.
What are the key properties of 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one?
4-methyl-1-(oxolan-3-yl)pent-4-en-1-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 4-methyl-1-(oxolan-3-yl)pent-4-en-1-one is sourced from PubChem (CID 114473588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).