[chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane

C12H25ClSSi — CID 134872021

IUPAC[chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane
SMILESC[Si](C)(C)CS(C)(Cl)CC=C1CCCC1
InChIInChI=1S/C12H25ClSSi/c1-14(13,11-15(2,3)4)10-9-12-7-5-6-8-12/h9H,5-8,10-11H2,1-4H3
InChIKeyCGVYRQOBXZNBTC-UHFFFAOYSA-N
MW264.94 g/mol
LogP4.95
Rot. Bonds4

About [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane

[chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane (PubChem CID 134872021) has the molecular formula C12H25ClSSi and a molecular weight of 264.94 g/mol. Its IUPAC name is [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane
PubChem CID134872021
Molecular FormulaC12H25ClSSi
Molecular Weight264.94 g/mol
Exact Mass264.11
IUPAC Name[chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane
SMILESC[Si](C)(C)CS(C)(Cl)CC=C1CCCC1
InChIInChI=1S/C12H25ClSSi/c1-14(13,11-15(2,3)4)10-9-12-7-5-6-8-12/h9H,5-8,10-11H2,1-4H3
InChIKeyCGVYRQOBXZNBTC-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.94
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane?
The IUPAC name of [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane (CID 134872021) is [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane.
What is the SMILES notation for [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane?
The canonical SMILES for [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane is C[Si](C)(C)CS(C)(Cl)CC=C1CCCC1.
What is the InChIKey of [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane?
The InChIKey is CGVYRQOBXZNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClSSi/c1-14(13,11-15(2,3)4)10-9-12-7-5-6-8-12/h9H,5-8,10-11H2,1-4H3.
What are the key properties of [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane?
[chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane has a molecular weight of 264.94 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(2-cyclopentylideneethyl)-methyl-λ4-sulfanyl]methyl-trimethylsilane is sourced from PubChem (CID 134872021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).