(4S,5R)-5-cyclohexyl-4-methyloxolan-2-one

C11H18O2 — CID 11183002

IUPAC(4S,5R)-5-cyclohexyl-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1C1CCCCC1
InChIInChI=1S/C11H18O2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3/t8-,11+/m0/s1
InChIKeyXSUTVHQPZYUOTD-GZMMTYOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds1

About (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one

(4S,5R)-5-cyclohexyl-4-methyloxolan-2-one (PubChem CID 11183002) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-cyclohexyl-4-methyloxolan-2-one
PubChem CID11183002
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S,5R)-5-cyclohexyl-4-methyloxolan-2-one
SMILESC[C@H]1CC(=O)O[C@H]1C1CCCCC1
InChIInChI=1S/C11H18O2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3/t8-,11+/m0/s1
InChIKeyXSUTVHQPZYUOTD-GZMMTYOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-5-cyclohexyl-4-methyloxolan-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

Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
Dihydromintlactone
CID 14344497
5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
2(3H)-Benzofuranone, hexahydro-
CID 95391
1(3H)-Isobenzofuranone, 3-butylhexahydro-
CID 12367055
Ethyl 2-cyclohexylpropionate
CID 160641

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one?
The IUPAC name of (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one (CID 11183002) is (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one is C[C@H]1CC(=O)O[C@H]1C1CCCCC1.
What is the InChIKey of (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one?
The InChIKey is XSUTVHQPZYUOTD-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-7-10(12)13-11(8)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3/t8-,11+/m0/s1.
What are the key properties of (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one?
(4S,5R)-5-cyclohexyl-4-methyloxolan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-cyclohexyl-4-methyloxolan-2-one is sourced from PubChem (CID 11183002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).