3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one

C11H16O2 — CID 11182979

IUPAC3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
SMILESC=CCC1(CC=C)CC(C)C(=O)O1
InChIInChI=1S/C11H16O2/c1-4-6-11(7-5-2)8-9(3)10(12)13-11/h4-5,9H,1-2,6-8H2,3H3
InChIKeySMBOYVNWEPEVQN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds4

About 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one

3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one (PubChem CID 11182979) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
PubChem CID11182979
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
SMILESC=CCC1(CC=C)CC(C)C(=O)O1
InChIInChI=1S/C11H16O2/c1-4-6-11(7-5-2)8-9(3)10(12)13-11/h4-5,9H,1-2,6-8H2,3H3
InChIKeySMBOYVNWEPEVQN-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
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

3-methyl-5,5-di(propan-2-yl)oxolan-2-one
CID 15522304
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
(4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-prop-2-enyl-1,3-dioxan-2-one
CID 130831875
(4'R,5'S)-4'-methyl-5'-prop-2-enylspiro[1,3-dioxolane-2,6'-2-oxabicyclo[3.3.1]non-7-ene]-3'-one
CID 11970095
3,5-dimethyl-3-prop-2-enyloxolane-2,4-dione
CID 14636614
(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
CID 102329754
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
3-chloro-5,5-diethyloxolan-2-one
CID 13225849
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
CID 134963153
(7R)-7-methyl-7-prop-2-enyloxepan-2-one
CID 146173300
(3aR,5R,7aS)-5-methyl-7a-prop-2-enyl-2,3,3a,4,5,6-hexahydroindene-1,7-dione
CID 46900318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one?
The IUPAC name of 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one (CID 11182979) is 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one.
What is the SMILES notation for 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one?
The canonical SMILES for 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one is C=CCC1(CC=C)CC(C)C(=O)O1.
What is the InChIKey of 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one?
The InChIKey is SMBOYVNWEPEVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-6-11(7-5-2)8-9(3)10(12)13-11/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one?
3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one is sourced from PubChem (CID 11182979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).