[2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane

C17H30SSi — CID 25208495

IUPAC[2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane
SMILESCC1=CCC([Si](C)(C)C)=C(CSC2CCCCC2)C1
InChIInChI=1S/C17H30SSi/c1-14-10-11-17(19(2,3)4)15(12-14)13-18-16-8-6-5-7-9-16/h10,16H,5-9,11-13H2,1-4H3
InChIKeyYEMJESGGQWOBKH-UHFFFAOYSA-N
MW294.58 g/mol
LogP5.97
Rot. Bonds4

About [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane

[2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane (PubChem CID 25208495) has the molecular formula C17H30SSi and a molecular weight of 294.58 g/mol. Its IUPAC name is [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane
PubChem CID25208495
Molecular FormulaC17H30SSi
Molecular Weight294.58 g/mol
Exact Mass294.18
IUPAC Name[2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane
SMILESCC1=CCC([Si](C)(C)C)=C(CSC2CCCCC2)C1
InChIInChI=1S/C17H30SSi/c1-14-10-11-17(19(2,3)4)15(12-14)13-18-16-8-6-5-7-9-16/h10,16H,5-9,11-13H2,1-4H3
InChIKeyYEMJESGGQWOBKH-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.58
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane (CID 25208495) is [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane is CC1=CCC([Si](C)(C)C)=C(CSC2CCCCC2)C1.
What is the InChIKey of [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane?
The InChIKey is YEMJESGGQWOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30SSi/c1-14-10-11-17(19(2,3)4)15(12-14)13-18-16-8-6-5-7-9-16/h10,16H,5-9,11-13H2,1-4H3.
What are the key properties of [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane?
[2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane has a molecular weight of 294.58 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylsulfanylmethyl)-4-methylcyclohexa-1,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 25208495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).