[(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane

C22H42Si — CID 135062577

IUPAC[(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCCCCC
InChIInChI=1S/C22H42Si/c1-9-11-12-13-14-15-16-22(10-2)17-18-23(19(3)4,20(5)6)21(7)8/h10,19-22H,2,9,11-16H2,1,3-8H3/t22-/m1/s1
InChIKeyDGZFALFLVYXFTC-JOCHJYFZSA-N
MW334.66 g/mol
LogP7.76
Rot. Bonds11

About [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane

[(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 135062577) has the molecular formula C22H42Si and a molecular weight of 334.66 g/mol. Its IUPAC name is [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane
PubChem CID135062577
Molecular FormulaC22H42Si
Molecular Weight334.66 g/mol
Exact Mass334.31
IUPAC Name[(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCCCCC
InChIInChI=1S/C22H42Si/c1-9-11-12-13-14-15-16-22(10-2)17-18-23(19(3)4,20(5)6)21(7)8/h10,19-22H,2,9,11-16H2,1,3-8H3/t22-/m1/s1
InChIKeyDGZFALFLVYXFTC-JOCHJYFZSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.66
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane 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 [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane (CID 135062577) is [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane is C=C[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCCCCC.
What is the InChIKey of [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is DGZFALFLVYXFTC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H42Si/c1-9-11-12-13-14-15-16-22(10-2)17-18-23(19(3)4,20(5)6)21(7)8/h10,19-22H,2,9,11-16H2,1,3-8H3/t22-/m1/s1.
What are the key properties of [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane?
[(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 334.66 g/mol, XLogP of 7.76, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethenylundec-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 135062577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).