1-(oxetan-3-yl)pent-4-en-2-one

C8H12O2 — CID 139972766

IUPAC1-(oxetan-3-yl)pent-4-en-2-one
SMILESC=CCC(=O)CC1COC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)4-7-5-10-6-7/h2,7H,1,3-6H2
InChIKeyUMKOFFMJZJAOGA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds4

About 1-(oxetan-3-yl)pent-4-en-2-one

1-(oxetan-3-yl)pent-4-en-2-one (PubChem CID 139972766) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(oxetan-3-yl)pent-4-en-2-one.

Molecular Properties

Compound Name1-(oxetan-3-yl)pent-4-en-2-one
PubChem CID139972766
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(oxetan-3-yl)pent-4-en-2-one
SMILESC=CCC(=O)CC1COC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)4-7-5-10-6-7/h2,7H,1,3-6H2
InChIKeyUMKOFFMJZJAOGA-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
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

4-(Methoxymethyl)hept-6-en-2-one
CID 59855038
1-(Oxetan-3-yl)but-3-en-2-one
CID 139972749
1-(3-Methyloxetan-3-yl)pent-4-en-2-one
CID 139972753
1-(Oxan-4-yl)but-3-en-1-one
CID 65329153
7-Methoxy-6-methylhept-1-en-4-one
CID 105083180
1-Methoxy-2-methyloct-7-en-4-one
CID 105104582
7-Methoxy-5-methylhept-1-en-4-one
CID 116659501

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)pent-4-en-2-one?
The IUPAC name of 1-(oxetan-3-yl)pent-4-en-2-one (CID 139972766) is 1-(oxetan-3-yl)pent-4-en-2-one.
What is the SMILES notation for 1-(oxetan-3-yl)pent-4-en-2-one?
The canonical SMILES for 1-(oxetan-3-yl)pent-4-en-2-one is C=CCC(=O)CC1COC1.
What is the InChIKey of 1-(oxetan-3-yl)pent-4-en-2-one?
The InChIKey is UMKOFFMJZJAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-8(9)4-7-5-10-6-7/h2,7H,1,3-6H2.
What are the key properties of 1-(oxetan-3-yl)pent-4-en-2-one?
1-(oxetan-3-yl)pent-4-en-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)pent-4-en-2-one is sourced from PubChem (CID 139972766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).