4-(2-methylpropyl)oxolan-2-one

C8H14O2 — CID 15213644

IUPAC4-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1COC(=O)C1
InChIInChI=1S/C8H14O2/c1-6(2)3-7-4-8(9)10-5-7/h6-7H,3-5H2,1-2H3
InChIKeyXKBPFNXEZIMLCB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds2

About 4-(2-methylpropyl)oxolan-2-one

4-(2-methylpropyl)oxolan-2-one (PubChem CID 15213644) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)oxolan-2-one
PubChem CID15213644
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1COC(=O)C1
InChIInChI=1S/C8H14O2/c1-6(2)3-7-4-8(9)10-5-7/h6-7H,3-5H2,1-2H3
InChIKeyXKBPFNXEZIMLCB-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Hexyl-gamma-butyrolactone
CID 86736
Ethyl 2-ethylhexanoate
CID 102916
4-Ethyloxolan-2-one
CID 27893
Ethyl 5-methylhexanoate
CID 234290
Ethyl cyclopentanecarboxylate
CID 79550
Hexanoic acid, 2-ethylhexyl ester
CID 85994
Hexanoic acid, 4-methyl-, ethyl ester
CID 102647
Hexanoic acid, 2-ethyl-, butyl ester
CID 109380
Hexanoic acid, 2-ethyl-, C12-15-alkyl esters
CID 222339
Ethyl 3,5,5-trimethylhexanoate
CID 3017783
2(3H)-Furanone, 3-heptyldihydro-
CID 102914
Hexanoic acid, 2-ethyl-, 2-methylpropyl ester
CID 110999

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)oxolan-2-one?
The IUPAC name of 4-(2-methylpropyl)oxolan-2-one (CID 15213644) is 4-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 4-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for 4-(2-methylpropyl)oxolan-2-one is CC(C)CC1COC(=O)C1.
What is the InChIKey of 4-(2-methylpropyl)oxolan-2-one?
The InChIKey is XKBPFNXEZIMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)3-7-4-8(9)10-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)oxolan-2-one?
4-(2-methylpropyl)oxolan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 15213644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).