[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane

C18H36O2Si — CID 102239079

IUPAC[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane
SMILESCCCC/C=C/[Si](OC[C@@H]1O[C@@H]1CCC)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-7-9-10-11-13-21(15(3)4,16(5)6)19-14-18-17(20-18)12-8-2/h11,13,15-18H,7-10,12,14H2,1-6H3/b13-11+/t17-,18+/m1/s1
InChIKeyKHQUHJHVURNMCZ-GFGUTWHHSA-N
MW312.57 g/mol
LogP5.62
Rot. Bonds11

About [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane

[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane (PubChem CID 102239079) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Name[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane
PubChem CID102239079
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane
SMILESCCCC/C=C/[Si](OC[C@@H]1O[C@@H]1CCC)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-7-9-10-11-13-21(15(3)4,16(5)6)19-14-18-17(20-18)12-8-2/h11,13,15-18H,7-10,12,14H2,1-6H3/b13-11+/t17-,18+/m1/s1
InChIKeyKHQUHJHVURNMCZ-GFGUTWHHSA-N
XLogP5.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
CID 15632318
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane
CID 12019918
[(2R,3R)-1-butoxy-3-methoxy-3-methylhept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 89737080
3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane
CID 142657998
Triethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
CID 149664550
Triethoxy-[2-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane
CID 149813263
Triethoxy-[2-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
CID 150414991
Trimethoxy-[3-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
CID 151746450
Triethoxy-[1-(oxiran-2-ylmethoxy)oct-6-en-4-yl]silane
CID 151925462
Trimethoxy-[1-(oxiran-2-ylmethoxy)oct-7-en-4-yl]silane
CID 152027057

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane?
The IUPAC name of [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane (CID 102239079) is [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane.
What is the SMILES notation for [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane?
The canonical SMILES for [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane is CCCC/C=C/[Si](OC[C@@H]1O[C@@H]1CCC)(C(C)C)C(C)C.
What is the InChIKey of [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane?
The InChIKey is KHQUHJHVURNMCZ-GFGUTWHHSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-9-10-11-13-21(15(3)4,16(5)6)19-14-18-17(20-18)12-8-2/h11,13,15-18H,7-10,12,14H2,1-6H3/b13-11+/t17-,18+/m1/s1.
What are the key properties of [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane?
[(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane has a molecular weight of 312.57 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enyl]-di(propan-2-yl)-[[(2S,3R)-3-propyloxiran-2-yl]methoxy]silane is sourced from PubChem (CID 102239079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).