(3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane

C30H29ClSi — CID 134900948

IUPAC(3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane
SMILESC=C(C(Cl)(c1ccccc1)C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29ClSi/c1-24(2)30(31,26-16-8-4-9-17-26)25(3)32(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-24H,3H2,1-2H3
InChIKeyGRXBXAKHUGJVJY-UHFFFAOYSA-N
MW453.10 g/mol
LogP6.04
Rot. Bonds7

About (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane

(3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane (PubChem CID 134900948) has the molecular formula C30H29ClSi and a molecular weight of 453.10 g/mol. Its IUPAC name is (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane.

Molecular Properties

Compound Name(3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane
PubChem CID134900948
Molecular FormulaC30H29ClSi
Molecular Weight453.10 g/mol
Exact Mass452.17
IUPAC Name(3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane
SMILESC=C(C(Cl)(c1ccccc1)C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29ClSi/c1-24(2)30(31,26-16-8-4-9-17-26)25(3)32(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-24H,3H2,1-2H3
InChIKeyGRXBXAKHUGJVJY-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.10
LogP ≤ 56.04
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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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane?
The IUPAC name of (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane (CID 134900948) is (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane.
What is the SMILES notation for (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane?
The canonical SMILES for (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane is C=C(C(Cl)(c1ccccc1)C(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane?
The InChIKey is GRXBXAKHUGJVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClSi/c1-24(2)30(31,26-16-8-4-9-17-26)25(3)32(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-24H,3H2,1-2H3.
What are the key properties of (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane?
(3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane has a molecular weight of 453.10 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methyl-3-phenylpent-1-en-2-yl)-triphenylsilane is sourced from PubChem (CID 134900948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).