trichloro-(3-methylidene-2-phenyloctyl)silane

C15H21Cl3Si — CID 102380350

IUPACtrichloro-(3-methylidene-2-phenyloctyl)silane
SMILESC=C(CCCCC)C(C[Si](Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H21Cl3Si/c1-3-4-6-9-13(2)15(12-19(16,17)18)14-10-7-5-8-11-14/h5,7-8,10-11,15H,2-4,6,9,12H2,1H3
InChIKeyJSRAEIPLCCBBAW-UHFFFAOYSA-N
MW335.78 g/mol
LogP6.56
Rot. Bonds8

About trichloro-(3-methylidene-2-phenyloctyl)silane

trichloro-(3-methylidene-2-phenyloctyl)silane (PubChem CID 102380350) has the molecular formula C15H21Cl3Si and a molecular weight of 335.78 g/mol. Its IUPAC name is trichloro-(3-methylidene-2-phenyloctyl)silane.

Molecular Properties

Compound Nametrichloro-(3-methylidene-2-phenyloctyl)silane
PubChem CID102380350
Molecular FormulaC15H21Cl3Si
Molecular Weight335.78 g/mol
Exact Mass334.05
IUPAC Nametrichloro-(3-methylidene-2-phenyloctyl)silane
SMILESC=C(CCCCC)C(C[Si](Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C15H21Cl3Si/c1-3-4-6-9-13(2)15(12-19(16,17)18)14-10-7-5-8-11-14/h5,7-8,10-11,15H,2-4,6,9,12H2,1H3
InChIKeyJSRAEIPLCCBBAW-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.78
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-1-phenylnonan-1-ol
CID 102449396
3-phenyltetradecan-4-one
CID 114968845
2-fluorohept-1-en-3-ylbenzene
CID 102089822
2-methyl-4-phenyldecan-5-one
CID 175352694
1-amino-2-phenylundecan-3-one
CID 116566909
2-methyl-3-phenyloctadec-1-en-4-one
CID 23168846
1-chloro-1-phenylnonan-2-one
CID 81236884
1-chloro-1-phenyldecan-2-one
CID 81235866
2-phenyloctadecanoyl chloride
CID 154195260
1-chloro-4-(1-diphenoxyphosphoryl-2-methylideneoctyl)benzene
CID 46867859
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
oct-1-en-2-yl(triphenyl)phosphanium
CID 101022395

Frequently Asked Questions

What is the IUPAC name of trichloro-(3-methylidene-2-phenyloctyl)silane?
The IUPAC name of trichloro-(3-methylidene-2-phenyloctyl)silane (CID 102380350) is trichloro-(3-methylidene-2-phenyloctyl)silane.
What is the SMILES notation for trichloro-(3-methylidene-2-phenyloctyl)silane?
The canonical SMILES for trichloro-(3-methylidene-2-phenyloctyl)silane is C=C(CCCCC)C(C[Si](Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of trichloro-(3-methylidene-2-phenyloctyl)silane?
The InChIKey is JSRAEIPLCCBBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3Si/c1-3-4-6-9-13(2)15(12-19(16,17)18)14-10-7-5-8-11-14/h5,7-8,10-11,15H,2-4,6,9,12H2,1H3.
What are the key properties of trichloro-(3-methylidene-2-phenyloctyl)silane?
trichloro-(3-methylidene-2-phenyloctyl)silane has a molecular weight of 335.78 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(3-methylidene-2-phenyloctyl)silane is sourced from PubChem (CID 102380350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).