tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane

C18H36O2Si — CID 11551386

IUPACtert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
SMILESC=CC[C@@H](O[C@H](CC)C(=C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-11-13-17(19-16(12-2)14(3)4)15(5)20-21(9,10)18(6,7)8/h11,15-17H,1,3,12-13H2,2,4-10H3/t15-,16+,17+/m0/s1
InChIKeyHFBSHFVCCGAQRT-GVDBMIGSSA-N
MW312.57 g/mol
LogP5.71
Rot. Bonds9

About tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane (PubChem CID 11551386) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
PubChem CID11551386
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
SMILESC=CC[C@@H](O[C@H](CC)C(=C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-11-13-17(19-16(12-2)14(3)4)15(5)20-21(9,10)18(6,7)8/h11,15-17H,1,3,12-13H2,2,4-10H3/t15-,16+,17+/m0/s1
InChIKeyHFBSHFVCCGAQRT-GVDBMIGSSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxy]silane
CID 10708071
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
CID 102183142
trimethyl-[[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxy-bis(trimethylsilyl)silyl]silane
CID 134854197
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane
CID 134960946
tert-butyl-[[(2R,3R)-3-ethenyloxiran-2-yl]methoxy]-dimethylsilane
CID 11206675
Tert-butyl-dimethyl-[3-(2-methylprop-2-enoxy)hex-5-enoxy]silane
CID 21986179
tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane (CID 11551386) is tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane is C=CC[C@@H](O[C@H](CC)C(=C)C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane?
The InChIKey is HFBSHFVCCGAQRT-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-11-13-17(19-16(12-2)14(3)4)15(5)20-21(9,10)18(6,7)8/h11,15-17H,1,3,12-13H2,2,4-10H3/t15-,16+,17+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane has a molecular weight of 312.57 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane is sourced from PubChem (CID 11551386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).