(4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one

C12H18O2 — CID 14083928

IUPAC(4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)O[C@H](C2CCCCC2)[C@@H]1C
InChIInChI=1S/C12H18O2/c1-8-9(2)12(13)14-11(8)10-6-4-3-5-7-10/h8,10-11H,2-7H2,1H3/t8-,11+/m1/s1
InChIKeyUUCNMGNRHOPXTA-KCJUWKMLSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds1

About (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one

(4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one (PubChem CID 14083928) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one
PubChem CID14083928
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)O[C@H](C2CCCCC2)[C@@H]1C
InChIInChI=1S/C12H18O2/c1-8-9(2)12(13)14-11(8)10-6-4-3-5-7-10/h8,10-11H,2-7H2,1H3/t8-,11+/m1/s1
InChIKeyUUCNMGNRHOPXTA-KCJUWKMLSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-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

(+)-Alantolactone
CID 72724
Bohlmann K2631
CID 327378
Dehydroleucodine
CID 73440
Sedanolide
CID 5018391
Tomentosin
CID 155173
7-Methyl-3-Methylidene-6-(3-Oxobutyl)-4,7,8,8A-Tetrahydro-3Ah-Cyclohepta(B)Furan-2-One
CID 540288
Xanthinosin
CID 44453629
Neocnidilide
CID 3083857
Peroxycostunolide
CID 13895607
Ncgc00380759-01_C23H34O6_
CID 75528893
(3aS,6S,8aR)-6-methyl-3-methylidene-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
CID 14605949
1,6-O,O-diacetylbritannilactone [M+H]+
CID 25018669

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one?
The IUPAC name of (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one (CID 14083928) is (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one?
The canonical SMILES for (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one is C=C1C(=O)O[C@H](C2CCCCC2)[C@@H]1C.
What is the InChIKey of (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one?
The InChIKey is UUCNMGNRHOPXTA-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-9(2)12(13)14-11(8)10-6-4-3-5-7-10/h8,10-11H,2-7H2,1H3/t8-,11+/m1/s1.
What are the key properties of (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one?
(4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-cyclohexyl-4-methyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 14083928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).