3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one

C9H14O2 — CID 53466078

IUPAC3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one
SMILESC=C(C)CC1(C)CCOC1=O
InChIInChI=1S/C9H14O2/c1-7(2)6-9(3)4-5-11-8(9)10/h1,4-6H2,2-3H3
InChIKeyDFSUWBRCEHPMST-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds2

About 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one

3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one (PubChem CID 53466078) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one
PubChem CID53466078
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one
SMILESC=C(C)CC1(C)CCOC1=O
InChIInChI=1S/C9H14O2/c1-7(2)6-9(3)4-5-11-8(9)10/h1,4-6H2,2-3H3
InChIKeyDFSUWBRCEHPMST-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
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-Methyl-2-propenyl)succinic Anhydride
CID 225375
3-But-3-enyloxolan-2-one
CID 10080487
2,5-Furandione, dihydro-3-(tetraisobutenyl)-
CID 3085493
5-Isopropenyl-3,3-dimethyl-dihydrofuran-2-one
CID 565455
Methyl-2-allyl-butanolide
CID 10898804
Methyl 1-methyl-3-methylenecyclopentane-1-carboxylate
CID 12537217
Ethyl 2,2,4-trimethylpent-4-enoate
CID 13111080
(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one
CID 11833269
3-Acetyl-3-but-3-enyloxolan-2-one
CID 14491865
4-(2-Methylpent-4-en-2-yl)oxolan-2-one
CID 71366692
(3R)-3-pent-1-en-3-yloxolan-2-one
CID 139254715
Ethyl 1-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 154710774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one?
The IUPAC name of 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one (CID 53466078) is 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one.
What is the SMILES notation for 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one?
The canonical SMILES for 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one is C=C(C)CC1(C)CCOC1=O.
What is the InChIKey of 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one?
The InChIKey is DFSUWBRCEHPMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)6-9(3)4-5-11-8(9)10/h1,4-6H2,2-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one?
3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-2-enyl)oxolan-2-one is sourced from PubChem (CID 53466078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).