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

C8H12O2 — CID 13412099

IUPAC4-methyl-5-propan-2-ylideneoxolan-2-one
SMILESCC(C)=C1OC(=O)CC1C
InChIInChI=1S/C8H12O2/c1-5(2)8-6(3)4-7(9)10-8/h6H,4H2,1-3H3
InChIKeyBRDLAUQZPWNAMO-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.86
Rot. Bonds

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

4-methyl-5-propan-2-ylideneoxolan-2-one (PubChem CID 13412099) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methyl-5-propan-2-ylideneoxolan-2-one.

Molecular Properties

Compound Name4-methyl-5-propan-2-ylideneoxolan-2-one
PubChem CID13412099
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methyl-5-propan-2-ylideneoxolan-2-one
SMILESCC(C)=C1OC(=O)CC1C
InChIInChI=1S/C8H12O2/c1-5(2)8-6(3)4-7(9)10-8/h6H,4H2,1-3H3
InChIKeyBRDLAUQZPWNAMO-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-ylideneoxolan-2-one?
The IUPAC name of 4-methyl-5-propan-2-ylideneoxolan-2-one (CID 13412099) is 4-methyl-5-propan-2-ylideneoxolan-2-one.
What is the SMILES notation for 4-methyl-5-propan-2-ylideneoxolan-2-one?
The canonical SMILES for 4-methyl-5-propan-2-ylideneoxolan-2-one is CC(C)=C1OC(=O)CC1C.
What is the InChIKey of 4-methyl-5-propan-2-ylideneoxolan-2-one?
The InChIKey is BRDLAUQZPWNAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)8-6(3)4-7(9)10-8/h6H,4H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-ylideneoxolan-2-one?
4-methyl-5-propan-2-ylideneoxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-ylideneoxolan-2-one is sourced from PubChem (CID 13412099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).