2-prop-2-enyloxocan-3-one

C10H16O2 — CID 130030905

IUPAC2-prop-2-enyloxocan-3-one
SMILESC=CCC1OCCCCCC1=O
InChIInChI=1S/C10H16O2/c1-2-6-10-9(11)7-4-3-5-8-12-10/h2,10H,1,3-8H2
InChIKeyJBGSROVBUVRPPO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds2

About 2-prop-2-enyloxocan-3-one

2-prop-2-enyloxocan-3-one (PubChem CID 130030905) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-prop-2-enyloxocan-3-one.

Molecular Properties

Compound Name2-prop-2-enyloxocan-3-one
PubChem CID130030905
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-prop-2-enyloxocan-3-one
SMILESC=CCC1OCCCCCC1=O
InChIInChI=1S/C10H16O2/c1-2-6-10-9(11)7-4-3-5-8-12-10/h2,10H,1,3-8H2
InChIKeyJBGSROVBUVRPPO-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(2S,5S)-2-prop-2-enyl-5-propyloxolan-3-one
CID 121242267
3-Propan-2-yloxyoct-7-en-2-one
CID 15415823
2-Pent-4-enyloxetan-3-one
CID 46863014
(2S,6S)-6-methyl-2-prop-2-enyloxan-3-one
CID 101762666
(2R,6S)-6-methyl-2-prop-2-enyloxan-3-one
CID 101762669
2-Prop-2-enyloxepan-3-one
CID 130030902
5-Pentyl-2-prop-2-enyloxolan-3-one
CID 135023370
5-But-3-enyl-2-prop-2-enyloxolan-3-one
CID 135042230
2-Pent-4-enyloxolan-3-one
CID 145994577
8-Prop-2-enyloxocan-2-one
CID 100921404
(11Z)-1-oxacyclohexadec-11-en-3-one
CID 66643319
(11E)-1-oxacyclohexadec-11-en-3-one
CID 66643320

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloxocan-3-one?
The IUPAC name of 2-prop-2-enyloxocan-3-one (CID 130030905) is 2-prop-2-enyloxocan-3-one.
What is the SMILES notation for 2-prop-2-enyloxocan-3-one?
The canonical SMILES for 2-prop-2-enyloxocan-3-one is C=CCC1OCCCCCC1=O.
What is the InChIKey of 2-prop-2-enyloxocan-3-one?
The InChIKey is JBGSROVBUVRPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-6-10-9(11)7-4-3-5-8-12-10/h2,10H,1,3-8H2.
What are the key properties of 2-prop-2-enyloxocan-3-one?
2-prop-2-enyloxocan-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloxocan-3-one is sourced from PubChem (CID 130030905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).