ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane

C20H40O2Si — CID 102239080

IUPACditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
SMILESCCCC/C=C/[Si](OC[C@H]1O[C@@H]1CCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-9-11-12-13-15-23(19(3,4)5,20(6,7)8)21-16-18-17(22-18)14-10-2/h13,15,17-18H,9-12,14,16H2,1-8H3/b15-13+/t17-,18-/m1/s1
InChIKeyUGYLSYSSBBNZBM-ZWOQHNGQSA-N
MW340.62 g/mol
LogP6.40
Rot. Bonds9

About ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane

ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane (PubChem CID 102239080) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nameditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
PubChem CID102239080
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Nameditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
SMILESCCCC/C=C/[Si](OC[C@H]1O[C@@H]1CCC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-9-11-12-13-15-23(19(3,4)5,20(6,7)8)21-16-18-17(22-18)14-10-2/h13,15,17-18H,9-12,14,16H2,1-8H3/b15-13+/t17-,18-/m1/s1
InChIKeyUGYLSYSSBBNZBM-ZWOQHNGQSA-N
XLogP6.40
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.40
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'}

Analyze ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane 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

tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10332001
tert-butyl-dimethyl-[(2R)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10705360
tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 11564984
tert-butyl-dimethyl-[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 13895986
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-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 134996026
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane?
The IUPAC name of ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane (CID 102239080) is ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane.
What is the SMILES notation for ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane?
The canonical SMILES for ditert-butyl-[(E)-hex-1-enyl]-[[(2R,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)(C)C.
What is the InChIKey of ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane?
The InChIKey is UGYLSYSSBBNZBM-ZWOQHNGQSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-9-11-12-13-15-23(19(3,4)5,20(6,7)8)21-16-18-17(22-18)14-10-2/h13,15,17-18H,9-12,14,16H2,1-8H3/b15-13+/t17-,18-/m1/s1.
What are the key properties of ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane?
ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane has a molecular weight of 340.62 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(E)-hex-1-enyl]-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane is sourced from PubChem (CID 102239080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).