(3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one

C23H36O6 — CID 14163850

IUPAC(3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one
SMILESCC[C@@]1([C@@H]2O[C@@H]([C@H]3OC(=O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C23H36O6/c1-6-23(10-7-17(28-23)22(5)9-8-18(24)29-22)20-14(3)12-16(26-20)19-13(2)11-15(4)21(25)27-19/h13-17,19-20H,6-12H2,1-5H3/t13-,14-,15+,16+,17+,19-,20+,22-,23-/m0/s1
InChIKeyJPFAFFJNFKCSJV-ALMWVUNISA-N
MW408.54 g/mol
LogP3.79
Rot. Bonds4

About (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one

(3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one (PubChem CID 14163850) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol. Its IUPAC name is (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one.

Molecular Properties

Compound Name(3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one
PubChem CID14163850
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Name(3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one
SMILESCC[C@@]1([C@@H]2O[C@@H]([C@H]3OC(=O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C23H36O6/c1-6-23(10-7-17(28-23)22(5)9-8-18(24)29-22)20-14(3)12-16(26-20)19-13(2)11-15(4)21(25)27-19/h13-17,19-20H,6-12H2,1-5H3/t13-,14-,15+,16+,17+,19-,20+,22-,23-/m0/s1
InChIKeyJPFAFFJNFKCSJV-ALMWVUNISA-N
XLogP3.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-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

Bullatacinone diacetate
CID 44575948
[2-Acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate
CID 162911237
5-Decyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
CID 162929241
(2S,2'R,2''R,3''S,5'S,5''R)-5''-((7S,8S,10R)-8,10-dimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl)-5'-ethyl-2,3''-dimethyldecahydro-[2,2':5',2''-terfuran]-5(2H)-one
CID 14163852
Dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 1
CID 44191149
(5S)-5-[(2R,5S)-5-[(2R,3S,5S)-5-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
CID 134930890
(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
CID 135068832
methyl 2-((2S,2'R,2''R,3''S,5'S,5''R)-5''-((2S,3S,5R)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl)-5'-ethyl-2,3''-dimethyldodecahydro-[2,2':5',2''-terfuran]-5-yl)acetate
CID 154731525
2-((2S,2'R,2''R,3''S,5'S,5''R)-5''-((2S,3S,5R)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl)-5'-ethyl-2,3''-dimethyldodecahydro-[2,2':5',2''-terfuran]-5-yl)acetic acid
CID 154731545
5-{1-[(3-Methyl-pentyl)oxy]propyl}tetrahydro-[3,3'-bifuran]-2,2'(3h,3'h)-dione
CID 154926309
(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
CID 10976452
(1S,2S,4R,7S,8R,10R,12S)-2,7,12-trimethyl-5,11,15-trioxatetracyclo[10.2.1.01,10.04,8]pentadecan-6-one
CID 11311639

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one?
The IUPAC name of (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one (CID 14163850) is (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one.
What is the SMILES notation for (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one?
The canonical SMILES for (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one is CC[C@@]1([C@@H]2O[C@@H]([C@H]3OC(=O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC(=O)O2)O1.
What is the InChIKey of (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one?
The InChIKey is JPFAFFJNFKCSJV-ALMWVUNISA-N. The full InChI is InChI=1S/C23H36O6/c1-6-23(10-7-17(28-23)22(5)9-8-18(24)29-22)20-14(3)12-16(26-20)19-13(2)11-15(4)21(25)27-19/h13-17,19-20H,6-12H2,1-5H3/t13-,14-,15+,16+,17+,19-,20+,22-,23-/m0/s1.
What are the key properties of (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one?
(3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one has a molecular weight of 408.54 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6S)-6-[(2R,4S,5R)-5-[(2S,5R)-2-ethyl-5-[(2S)-2-methyl-5-oxooxolan-2-yl]oxolan-2-yl]-4-methyloxolan-2-yl]-3,5-dimethyloxan-2-one is sourced from PubChem (CID 14163850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).