[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane

C20H25ClSi — CID 12027466

IUPAC[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane
SMILESC=C(C)CC(C[Si](C)(C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClSi/c1-16(2)14-18(17-10-12-19(21)13-11-17)15-22(3,4)20-8-6-5-7-9-20/h5-13,18H,1,14-15H2,2-4H3
InChIKeyCVGQZCJUORJHFS-UHFFFAOYSA-N
MW328.96 g/mol
LogP6.01
Rot. Bonds6

About [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane

[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane (PubChem CID 12027466) has the molecular formula C20H25ClSi and a molecular weight of 328.96 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane
PubChem CID12027466
Molecular FormulaC20H25ClSi
Molecular Weight328.96 g/mol
Exact Mass328.14
IUPAC Name[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane
SMILESC=C(C)CC(C[Si](C)(C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClSi/c1-16(2)14-18(17-10-12-19(21)13-11-17)15-22(3,4)20-8-6-5-7-9-20/h5-13,18H,1,14-15H2,2-4H3
InChIKeyCVGQZCJUORJHFS-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.96
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-5-methylhex-5-en-3-yl)benzene
CID 91565278
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3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
1-benzhydryl-4-chlorobenzene
CID 13050205
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
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2,2-dicyclopropylethyl-dimethyl-phenylsilane
CID 11806894
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
1-(4-chlorophenyl)-2-trimethylsilylethanol
CID 15709623
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
N-[(1R)-1-(4-chlorophenyl)-2-methylidene-3-oxobutyl]benzenesulfonamide
CID 102434392
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane?
The IUPAC name of [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane (CID 12027466) is [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane.
What is the SMILES notation for [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane?
The canonical SMILES for [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane is C=C(C)CC(C[Si](C)(C)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane?
The InChIKey is CVGQZCJUORJHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClSi/c1-16(2)14-18(17-10-12-19(21)13-11-17)15-22(3,4)20-8-6-5-7-9-20/h5-13,18H,1,14-15H2,2-4H3.
What are the key properties of [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane?
[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane has a molecular weight of 328.96 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane is sourced from PubChem (CID 12027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).