[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane

C16H33BrSi — CID 101058732

IUPAC[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane
SMILESCC[C@@H](/C=C/CCBr)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33BrSi/c1-8-16(11-9-10-12-17)18(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3/b11-9+/t16-/m0/s1
InChIKeyNHPJANGYMKUGDJ-SOGBHIHOSA-N
MW333.43 g/mol
LogP6.79
Rot. Bonds8

About [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane

[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane (PubChem CID 101058732) has the molecular formula C16H33BrSi and a molecular weight of 333.43 g/mol. Its IUPAC name is [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane
PubChem CID101058732
Molecular FormulaC16H33BrSi
Molecular Weight333.43 g/mol
Exact Mass332.15
IUPAC Name[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane
SMILESCC[C@@H](/C=C/CCBr)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33BrSi/c1-8-16(11-9-10-12-17)18(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3/b11-9+/t16-/m0/s1
InChIKeyNHPJANGYMKUGDJ-SOGBHIHOSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,6Z,10E)-13-bromo-7-fluoro-6,11-dimethyltrideca-2,6,10-trienyl]-trimethylsilane
CID 10667182
[(E)-6-bromohex-2-enyl]-trimethylsilane
CID 10966467
[(E)-1-bromohept-2-en-3-yl]-trimethylsilane
CID 13168369
6-Bromohex-2-enyl(trimethyl)silane
CID 85349093
(Z)-(3-bromodec-7-en-1-yn-1-yl)triisopropylsilane
CID 166637294
[(2Z,6Z,10E,14E)-17-bromo-7-fluoro-6,11,15-trimethylheptadeca-2,6,10,14-tetraenyl]-trimethylsilane
CID 10503419
(1-(3-Bromopropyl)-1-hexenyl)(trimethyl)silane
CID 365976
[(Z)-1-bromonon-4-en-4-yl]-trimethylsilane
CID 5388247
(3Z,6Z,9Z,12Z,15Z,18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 58559571
22-Bromodocosa-3,6,9,12,15,18-hexaene
CID 76830263
Z-1-Bromo-4,7,10,13,16,19-docosahexaene
CID 86759790
(3Z,6Z,9Z,12Z,15Z,18Z)-1-bromodocosa-3,6,9,12,15,18-hexaene
CID 87991244

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane (CID 101058732) is [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane is CC[C@@H](/C=C/CCBr)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane?
The InChIKey is NHPJANGYMKUGDJ-SOGBHIHOSA-N. The full InChI is InChI=1S/C16H33BrSi/c1-8-16(11-9-10-12-17)18(13(2)3,14(4)5)15(6)7/h9,11,13-16H,8,10,12H2,1-7H3/b11-9+/t16-/m0/s1.
What are the key properties of [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane?
[(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane has a molecular weight of 333.43 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-7-bromohept-4-en-3-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101058732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).