4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one

C10H14O2 — CID 12529940

IUPAC4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one
SMILESC=CC1(C)CC(=O)OC1=C(C)C
InChIInChI=1S/C10H14O2/c1-5-10(4)6-8(11)12-9(10)7(2)3/h5H,1,6H2,2-4H3
InChIKeyIXNDFUDDJJOVIW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.42
Rot. Bonds1

About 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one

4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one (PubChem CID 12529940) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one
PubChem CID12529940
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one
SMILESC=CC1(C)CC(=O)OC1=C(C)C
InChIInChI=1S/C10H14O2/c1-5-10(4)6-8(11)12-9(10)7(2)3/h5H,1,6H2,2-4H3
InChIKeyIXNDFUDDJJOVIW-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one?
The IUPAC name of 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one (CID 12529940) is 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one.
What is the SMILES notation for 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one?
The canonical SMILES for 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one is C=CC1(C)CC(=O)OC1=C(C)C.
What is the InChIKey of 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one?
The InChIKey is IXNDFUDDJJOVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-10(4)6-8(11)12-9(10)7(2)3/h5H,1,6H2,2-4H3.
What are the key properties of 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one?
4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyl-5-propan-2-ylideneoxolan-2-one is sourced from PubChem (CID 12529940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).