[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane

C24H46O3Si — CID 134942486

IUPAC[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H46O3Si/c1-17(2)12-11-14-23(9)21(26-23)13-15-24(10)22(27-24)16-25-28(18(3)4,19(5)6)20(7)8/h12,18-22H,11,13-16H2,1-10H3/t21-,22+,23-,24+/m1/s1
InChIKeyHMJDUULHQPLKIV-QPXUXIHVSA-N
MW410.72 g/mol
LogP7.02
Rot. Bonds12

About [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane

[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 134942486) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID134942486
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Name[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H46O3Si/c1-17(2)12-11-14-23(9)21(26-23)13-15-24(10)22(27-24)16-25-28(18(3)4,19(5)6)20(7)8/h12,18-22H,11,13-16H2,1-10H3/t21-,22+,23-,24+/m1/s1
InChIKeyHMJDUULHQPLKIV-QPXUXIHVSA-N
XLogP7.02
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((5-((2S,3S)-3-((2,6-Dimethoxy-1-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-yl)methyl)-2-methyloxiran-2-yl)-2-methylpentan-2-yl)oxy)triethylsilane
CID 71520045
Squalene dioxide
CID 87695084
tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane
CID 13073171
tert-butyl-[(3E,7Z,11E)-1-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-3,12,16-trimethylheptadeca-3,7,11,15-tetraen-8-yl]oxy-dimethylsilane
CID 24899614
(2S,3S)-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-2-(4-methylpent-3-enyl)oxirane
CID 71725636
2-(4,8-Dimethylnona-3,7-dienyl)-3-[2-[3-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxirane
CID 91008561
[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
CID 101396453
(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
CID 101489559
tert-butyl-[4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]but-1-en-2-yloxy]-dimethylsilane
CID 101508864
tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
CID 102374991
tert-butyl-dimethyl-[[2-methyl-3-[(E)-3-methylpent-3-enyl]oxiran-2-yl]methoxy]silane
CID 134857523
[(E)-9-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-7-methylnon-6-en-2-ynyl]-trimethylsilane
CID 134882890

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane (CID 134942486) is [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)=CCC[C@@]1(C)O[C@@H]1CC[C@]1(C)O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is HMJDUULHQPLKIV-QPXUXIHVSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-17(2)12-11-14-23(9)21(26-23)13-15-24(10)22(27-24)16-25-28(18(3)4,19(5)6)20(7)8/h12,18-22H,11,13-16H2,1-10H3/t21-,22+,23-,24+/m1/s1.
What are the key properties of [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane?
[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 410.72 g/mol, XLogP of 7.02, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134942486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).