[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane

C15H29BrSi — CID 11558741

IUPAC[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane
SMILESC=C(CCCC)/C(CCCC)=C(\Br)[Si](C)(C)C
InChIInChI=1S/C15H29BrSi/c1-7-9-11-13(3)14(12-10-8-2)15(16)17(4,5)6/h3,7-12H2,1-2,4-6H3/b15-14+
InChIKeyNSCZLFDRLOWCQN-CCEZHUSRSA-N
MW317.39 g/mol
LogP6.45
Rot. Bonds8

About [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane

[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane (PubChem CID 11558741) has the molecular formula C15H29BrSi and a molecular weight of 317.39 g/mol. Its IUPAC name is [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane
PubChem CID11558741
Molecular FormulaC15H29BrSi
Molecular Weight317.39 g/mol
Exact Mass316.12
IUPAC Name[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane
SMILESC=C(CCCC)/C(CCCC)=C(\Br)[Si](C)(C)C
InChIInChI=1S/C15H29BrSi/c1-7-9-11-13(3)14(12-10-8-2)15(16)17(4,5)6/h3,7-12H2,1-2,4-6H3/b15-14+
InChIKeyNSCZLFDRLOWCQN-CCEZHUSRSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
3,4-dimethylideneoctan-2-one
CID 143941758
dec-1-en-2-yl(trimethyl)silane
CID 11665658
2-methylidenehexanoic acid;zinc
CID 174824467
2-methyl-3,4-dimethylideneoctane
CID 134835282
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
2-methylhex-1-ene
CID 158402499
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
(Z,4E)-4-ethylidene-5-methylidene-6-propan-2-ylidenedec-2-ene
CID 156886763
2-bromotetradec-1-ene
CID 2757183

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane?
The IUPAC name of [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane (CID 11558741) is [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane is C=C(CCCC)/C(CCCC)=C(\Br)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane?
The InChIKey is NSCZLFDRLOWCQN-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H29BrSi/c1-7-9-11-13(3)14(12-10-8-2)15(16)17(4,5)6/h3,7-12H2,1-2,4-6H3/b15-14+.
What are the key properties of [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane?
[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane has a molecular weight of 317.39 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane is sourced from PubChem (CID 11558741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).