(4S,5R)-4-methyl-5-propan-2-yloxolan-2-one

C8H14O2 — CID 10877215

IUPAC(4S,5R)-4-methyl-5-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1OC(=O)C[C@@H]1C
InChIInChI=1S/C8H14O2/c1-5(2)8-6(3)4-7(9)10-8/h5-6,8H,4H2,1-3H3/t6-,8+/m0/s1
InChIKeyVZCKPIXXIZDDDT-POYBYMJQSA-N
MW142.20 g/mol
LogP1.59
Rot. Bonds1

About (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one

(4S,5R)-4-methyl-5-propan-2-yloxolan-2-one (PubChem CID 10877215) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-propan-2-yloxolan-2-one
PubChem CID10877215
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4S,5R)-4-methyl-5-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1OC(=O)C[C@@H]1C
InChIInChI=1S/C8H14O2/c1-5(2)8-6(3)4-7(9)10-8/h5-6,8H,4H2,1-3H3/t6-,8+/m0/s1
InChIKeyVZCKPIXXIZDDDT-POYBYMJQSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-4-methyl-5-propan-2-yloxolan-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

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
Propan-2-yl 2-ethylhexanoate
CID 106701
Dihydro-3,5-dimethyl-2(3H)-furanone
CID 21227
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
Ethyl cyclopentanecarboxylate
CID 79550
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-(-)-
CID 11105597
10-Methyldodecan-4-olide
CID 21778195
(R)-4-Propyldihydrofuran-2(3H)-one
CID 10997054

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one (CID 10877215) is (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one is CC(C)[C@H]1OC(=O)C[C@@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one?
The InChIKey is VZCKPIXXIZDDDT-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)8-6(3)4-7(9)10-8/h5-6,8H,4H2,1-3H3/t6-,8+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one?
(4S,5R)-4-methyl-5-propan-2-yloxolan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-propan-2-yloxolan-2-one is sourced from PubChem (CID 10877215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).