2-(2-methoxyphenyl)ethynyl-trimethylsilane

C12H16OSi — CID 5140915

IUPAC2-(2-methoxyphenyl)ethynyl-trimethylsilane
SMILESCOc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C12H16OSi/c1-13-12-8-6-5-7-11(12)9-10-14(2,3)4/h5-8H,1-4H3
InChIKeyHNAJPTRCGNBCPB-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.92
Rot. Bonds1

About 2-(2-methoxyphenyl)ethynyl-trimethylsilane

2-(2-methoxyphenyl)ethynyl-trimethylsilane (PubChem CID 5140915) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)ethynyl-trimethylsilane
PubChem CID5140915
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name2-(2-methoxyphenyl)ethynyl-trimethylsilane
SMILESCOc1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C12H16OSi/c1-13-12-8-6-5-7-11(12)9-10-14(2,3)4/h5-8H,1-4H3
InChIKeyHNAJPTRCGNBCPB-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)ethynyl-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane
CID 53486603
2-[2-(2-bromophenoxy)phenyl]ethynyl-trimethylsilane
CID 164681631
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
2-[2-(dimethoxymethyl)phenyl]ethynyl-trimethylsilane
CID 15478527
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
2-[10-methoxy-8-(2-trimethylsilylethynyl)anthracen-1-yl]ethynyl-trimethylsilane
CID 139256605
2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
CID 142387759
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
CID 101398032

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-methoxyphenyl)ethynyl-trimethylsilane (CID 5140915) is 2-(2-methoxyphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-methoxyphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-methoxyphenyl)ethynyl-trimethylsilane is COc1ccccc1C#C[Si](C)(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)ethynyl-trimethylsilane?
The InChIKey is HNAJPTRCGNBCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-13-12-8-6-5-7-11(12)9-10-14(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)ethynyl-trimethylsilane?
2-(2-methoxyphenyl)ethynyl-trimethylsilane has a molecular weight of 204.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 5140915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).