[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane

C25H27ClSi — CID 134900973

IUPAC[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane
SMILESCC(C)(C)/C=C(/CCl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClSi/c1-25(2,3)19-24(20-26)27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,20H2,1-3H3/b24-19-
InChIKeyIRJFSWHDKJVORK-CLCOLTQESA-N
MW391.03 g/mol
LogP4.91
Rot. Bonds5

About [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane

[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane (PubChem CID 134900973) has the molecular formula C25H27ClSi and a molecular weight of 391.03 g/mol. Its IUPAC name is [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane
PubChem CID134900973
Molecular FormulaC25H27ClSi
Molecular Weight391.03 g/mol
Exact Mass390.16
IUPAC Name[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane
SMILESCC(C)(C)/C=C(/CCl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClSi/c1-25(2,3)19-24(20-26)27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,20H2,1-3H3/b24-19-
InChIKeyIRJFSWHDKJVORK-CLCOLTQESA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.03
LogP ≤ 54.91
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(E)-pent-2-en-3-yl]-triphenylsilane
CID 15062806
[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane
CID 101354563
[(1E)-1-(2,2-dimethylpropylidene)-4,4-dimethyl-2-phenylmethoxypent-2-enoxy]methylbenzene
CID 160642303
4,4-bis(methylsulfanyl)-2-phenylbut-3-en-2-ol
CID 13465706
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
CID 16688129
CID 16688129
[(2Z,4E)-1-chloro-5-phenylpenta-2,4-dien-2-yl]-trimethylsilane
CID 134978697
(E)-5-chloro-2-phenylpent-3-en-2-ol
CID 13026738
N-[(E)-1-chloro-3,3-dimethylbut-1-enyl]-N-methylaniline
CID 134987231
[(E)-4-methylpent-2-en-2-yl]-triphenylsilane
CID 13332877
chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane
CID 54497975
[dihydroxy(phenyl)silyl]oxy-dihydroxy-phenylsilane
CID 11335392

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane?
The IUPAC name of [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane (CID 134900973) is [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane.
What is the SMILES notation for [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane?
The canonical SMILES for [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane is CC(C)(C)/C=C(/CCl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane?
The InChIKey is IRJFSWHDKJVORK-CLCOLTQESA-N. The full InChI is InChI=1S/C25H27ClSi/c1-25(2,3)19-24(20-26)27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,20H2,1-3H3/b24-19-.
What are the key properties of [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane?
[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane has a molecular weight of 391.03 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane is sourced from PubChem (CID 134900973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).