2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane

C17H26Si — CID 175150765

IUPAC2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane
SMILESCc1cc(C2CCC(=CC[SiH3])CC2)cc(C)c1C
InChIInChI=1S/C17H26Si/c1-12-10-17(11-13(2)14(12)3)16-6-4-15(5-7-16)8-9-18/h8,10-11,16H,4-7,9H2,1-3,18H3/b15-8-
InChIKeyBWQRTQVZLLXLAX-NVNXTCNLSA-N
MW258.48 g/mol
LogP3.98
Rot. Bonds2

About 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane

2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane (PubChem CID 175150765) has the molecular formula C17H26Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane.

Molecular Properties

Compound Name2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane
PubChem CID175150765
Molecular FormulaC17H26Si
Molecular Weight258.48 g/mol
Exact Mass258.18
IUPAC Name2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane
SMILESCc1cc(C2CCC(=CC[SiH3])CC2)cc(C)c1C
InChIInChI=1S/C17H26Si/c1-12-10-17(11-13(2)14(12)3)16-6-4-15(5-7-16)8-9-18/h8,10-11,16H,4-7,9H2,1-3,18H3/b15-8-
InChIKeyBWQRTQVZLLXLAX-NVNXTCNLSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.98
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'}

Analyze 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane 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-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane?
The IUPAC name of 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane (CID 175150765) is 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane.
What is the SMILES notation for 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane?
The canonical SMILES for 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane is Cc1cc(C2CCC(=CC[SiH3])CC2)cc(C)c1C.
What is the InChIKey of 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane?
The InChIKey is BWQRTQVZLLXLAX-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H26Si/c1-12-10-17(11-13(2)14(12)3)16-6-4-15(5-7-16)8-9-18/h8,10-11,16H,4-7,9H2,1-3,18H3/b15-8-.
What are the key properties of 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane?
2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane has a molecular weight of 258.48 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4,5-trimethylphenyl)cyclohexylidene]ethylsilane is sourced from PubChem (CID 175150765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).