[(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane

C15H29ClSi — CID 134901128

IUPAC[(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane
SMILESCC(C)=CCC/C(=C(/CCl)[Si](C)(C)C)C(C)C
InChIInChI=1S/C15H29ClSi/c1-12(2)9-8-10-14(13(3)4)15(11-16)17(5,6)7/h9,13H,8,10-11H2,1-7H3/b15-14+
InChIKeyGEMCXEOFHACNAD-CCEZHUSRSA-N
MW272.94 g/mol
LogP5.80
Rot. Bonds6

About [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane

[(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane (PubChem CID 134901128) has the molecular formula C15H29ClSi and a molecular weight of 272.94 g/mol. Its IUPAC name is [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane
PubChem CID134901128
Molecular FormulaC15H29ClSi
Molecular Weight272.94 g/mol
Exact Mass272.17
IUPAC Name[(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane
SMILESCC(C)=CCC/C(=C(/CCl)[Si](C)(C)C)C(C)C
InChIInChI=1S/C15H29ClSi/c1-12(2)9-8-10-14(13(3)4)15(11-16)17(5,6)7/h9,13H,8,10-11H2,1-7H3/b15-14+
InChIKeyGEMCXEOFHACNAD-CCEZHUSRSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.94
LogP ≤ 55.80
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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Frequently Asked Questions

What is the IUPAC name of [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane?
The IUPAC name of [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane (CID 134901128) is [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane.
What is the SMILES notation for [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane?
The canonical SMILES for [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane is CC(C)=CCC/C(=C(/CCl)[Si](C)(C)C)C(C)C.
What is the InChIKey of [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane?
The InChIKey is GEMCXEOFHACNAD-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H29ClSi/c1-12(2)9-8-10-14(13(3)4)15(11-16)17(5,6)7/h9,13H,8,10-11H2,1-7H3/b15-14+.
What are the key properties of [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane?
[(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane has a molecular weight of 272.94 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-1-chloro-7-methyl-3-propan-2-ylocta-2,6-dien-2-yl]-trimethylsilane is sourced from PubChem (CID 134901128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).