(2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane

C37H56O6S — CID 102296918

IUPAC(2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane
SMILESC/C(=C\CC/C(=C(/C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C)S(=O)(=O)c1ccc(C)cc1)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C37H56O6S/c1-25(15-19-32-36(8,42-32)23-21-30-34(4,5)40-30)11-10-12-29(44(38,39)28-17-13-26(2)14-18-28)27(3)16-20-33-37(9,43-33)24-22-31-35(6,7)41-31/h11,13-14,17-18,30-33H,10,12,15-16,19-24H2,1-9H3/b25-11+,29-27+/t30-,31-,32-,33-,36-,37-/m1/s1
InChIKeyWIAYHRLKRRYJQJ-XOLMKAMESA-N
MW628.92 g/mol
LogP8.56
Rot. Bonds17

About (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane

(2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane (PubChem CID 102296918) has the molecular formula C37H56O6S and a molecular weight of 628.92 g/mol. Its IUPAC name is (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane
PubChem CID102296918
Molecular FormulaC37H56O6S
Molecular Weight628.92 g/mol
Exact Mass628.38
IUPAC Name(2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane
SMILESC/C(=C\CC/C(=C(/C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C)S(=O)(=O)c1ccc(C)cc1)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C
InChIInChI=1S/C37H56O6S/c1-25(15-19-32-36(8,42-32)23-21-30-34(4,5)40-30)11-10-12-29(44(38,39)28-17-13-26(2)14-18-28)27(3)16-20-33-37(9,43-33)24-22-31-35(6,7)41-31/h11,13-14,17-18,30-33H,10,12,15-16,19-24H2,1-9H3/b25-11+,29-27+/t30-,31-,32-,33-,36-,37-/m1/s1
InChIKeyWIAYHRLKRRYJQJ-XOLMKAMESA-N
XLogP8.56
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.92
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane 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

[(2R,3R)-3-[[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]methyl]-3-methyloxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 87211184
(2R,3R)-2-decyl-3-(5-methylhexyl)-2-(4-methylphenyl)sulfinyloxirane
CID 14025357
[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methyl-5-(4-methylphenyl)sulfonylnon-6-en-2-ynyl]-trimethylsilane
CID 134835502
[5-(3,3-Dimethyloxiran-2-yl)-3-methylpentyl] 4-methylbenzenesulfonate
CID 10914383
2-[[4-[4-(Oxiran-2-ylmethyl)phenyl]sulfonylphenyl]methyl]oxirane
CID 18947813
2-[1-[4-(Benzenesulfonyl)phenyl]propan-2-yl]oxirane
CID 19431356
2-[[4-(Benzenesulfonyl)phenyl]methyl]-2,3-dimethyloxirane
CID 19431357
2-[2-[4-(Benzenesulfonyl)phenyl]ethyl]-2-methyloxirane
CID 19431363
(6-Methoxy-6-methyloctan-2-yl) 4-methylbenzenesulfonate
CID 21485253
1-(7-Ethoxy-3,7-dimethyloctyl)sulfonyl-4-ethylbenzene
CID 22749758
5-Ethoxy-1,5-dimethylhexyl p-toluenesulfonate
CID 53725996
3-[3,7-Dimethyl-9-(4-methylphenyl)sulfonylnona-3,7-dienyl]-2,2-dimethyloxirane
CID 54379038

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane?
The IUPAC name of (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane (CID 102296918) is (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane.
What is the SMILES notation for (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane?
The canonical SMILES for (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane is C/C(=C\CC/C(=C(/C)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C)S(=O)(=O)c1ccc(C)cc1)CC[C@H]1O[C@]1(C)CC[C@H]1OC1(C)C.
What is the InChIKey of (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane?
The InChIKey is WIAYHRLKRRYJQJ-XOLMKAMESA-N. The full InChI is InChI=1S/C37H56O6S/c1-25(15-19-32-36(8,42-32)23-21-30-34(4,5)40-30)11-10-12-29(44(38,39)28-17-13-26(2)14-18-28)27(3)16-20-33-37(9,43-33)24-22-31-35(6,7)41-31/h11,13-14,17-18,30-33H,10,12,15-16,19-24H2,1-9H3/b25-11+,29-27+/t30-,31-,32-,33-,36-,37-/m1/s1.
What are the key properties of (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane?
(2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane has a molecular weight of 628.92 g/mol, XLogP of 8.56, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-[(3E,7E)-10-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,8-dimethyl-7-(4-methylphenyl)sulfonyldeca-3,7-dienyl]-2-methyloxirane is sourced from PubChem (CID 102296918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).