5-(2-methylprop-2-enyl)oxolan-2-one

C8H12O2 — CID 15062327

IUPAC5-(2-methylprop-2-enyl)oxolan-2-one
SMILESC=C(C)CC1CCC(=O)O1
InChIInChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h7H,1,3-5H2,2H3
InChIKeyWXXLUMYOHHRWGP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About 5-(2-methylprop-2-enyl)oxolan-2-one

5-(2-methylprop-2-enyl)oxolan-2-one (PubChem CID 15062327) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-(2-methylprop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-methylprop-2-enyl)oxolan-2-one
PubChem CID15062327
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-(2-methylprop-2-enyl)oxolan-2-one
SMILESC=C(C)CC1CCC(=O)O1
InChIInChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h7H,1,3-5H2,2H3
InChIKeyWXXLUMYOHHRWGP-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
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

2(3H)-Furanone, 5-(6-hepten-1-yl)dihydro-
CID 86055585
5-Butyl-3-methylideneoxolan-2-one
CID 10820778
2(3H)-Furanone, dihydro-3-methylene-5-pentyl-
CID 10583238
3-Methylidene-5-undecyloxolan-2-one
CID 44265392
(5S)-5-(4-methylpent-3-enyl)oxolan-2-one
CID 163195250
2(3H)-Furanone, dihydro-3-methylene-5-propyl-
CID 10773065
2(3H)-Furanone, 5-hexyldihydro-3-methylene-
CID 10856134
Ethyl 6-methylhept-6-enoate
CID 15531704
Ethyl 1-cyclopentene-1-acetate
CID 93748
5-Dodecyl-3-methylideneoxolan-2-one
CID 134865716
(R)-5-(But-3-en-1-yl)dihydrofuran-2(3H)-one
CID 11105446
3-Methylidene-5-octyloxolan-2-one
CID 13466844

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enyl)oxolan-2-one?
The IUPAC name of 5-(2-methylprop-2-enyl)oxolan-2-one (CID 15062327) is 5-(2-methylprop-2-enyl)oxolan-2-one.
What is the SMILES notation for 5-(2-methylprop-2-enyl)oxolan-2-one?
The canonical SMILES for 5-(2-methylprop-2-enyl)oxolan-2-one is C=C(C)CC1CCC(=O)O1.
What is the InChIKey of 5-(2-methylprop-2-enyl)oxolan-2-one?
The InChIKey is WXXLUMYOHHRWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)5-7-3-4-8(9)10-7/h7H,1,3-5H2,2H3.
What are the key properties of 5-(2-methylprop-2-enyl)oxolan-2-one?
5-(2-methylprop-2-enyl)oxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enyl)oxolan-2-one is sourced from PubChem (CID 15062327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).