4,4-dimethylpent-2-ynylsilane

C7H14Si — CID 174378257

IUPAC4,4-dimethylpent-2-ynylsilane
SMILESCC(C)(C)C#CC[SiH3]
InChIInChI=1S/C7H14Si/c1-7(2,3)5-4-6-8/h6H2,1-3,8H3
InChIKeyWGJHHFUASCZPGT-UHFFFAOYSA-N
MW126.27 g/mol
LogP0.82
Rot. Bonds

About 4,4-dimethylpent-2-ynylsilane

4,4-dimethylpent-2-ynylsilane (PubChem CID 174378257) has the molecular formula C7H14Si and a molecular weight of 126.27 g/mol. Its IUPAC name is 4,4-dimethylpent-2-ynylsilane.

Molecular Properties

Compound Name4,4-dimethylpent-2-ynylsilane
PubChem CID174378257
Molecular FormulaC7H14Si
Molecular Weight126.27 g/mol
Exact Mass126.09
IUPAC Name4,4-dimethylpent-2-ynylsilane
SMILESCC(C)(C)C#CC[SiH3]
InChIInChI=1S/C7H14Si/c1-7(2,3)5-4-6-8/h6H2,1-3,8H3
InChIKeyWGJHHFUASCZPGT-UHFFFAOYSA-N
XLogP0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4-dimethylpent-2-ynylsilane 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

4,4-dimethylpent-2-yne-1-thiol
CID 57065051
4,4-dimethylpent-2-yn-1-amine
CID 55281321
4,4-dimethylpent-2-yn-1-ol;2,2-dimethylpropanenitrile
CID 158218552
8-bromo-2,2-dimethyloct-3-yne
CID 54313482
7,7-dimethyloct-5-yn-3-ol
CID 12794181
3,3-dimethylbut-1-ynyl(trimethyl)stannane
CID 11791427
5,5-dimethyl-1-propoxyhex-3-yne
CID 123574561
7,7-dimethyloct-5-ynoic acid
CID 126973766
2,6,6-trimethylhept-4-ynoic acid
CID 21307528
4-(4,4-dimethylpent-2-ynyl)piperidine
CID 118333407
2,7,7-trimethyl-2-(methylamino)oct-5-yn-3-one
CID 130478990
N-(4,4-dimethylpent-2-ynyl)cyclohexanamine
CID 130478445

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpent-2-ynylsilane?
The IUPAC name of 4,4-dimethylpent-2-ynylsilane (CID 174378257) is 4,4-dimethylpent-2-ynylsilane.
What is the SMILES notation for 4,4-dimethylpent-2-ynylsilane?
The canonical SMILES for 4,4-dimethylpent-2-ynylsilane is CC(C)(C)C#CC[SiH3].
What is the InChIKey of 4,4-dimethylpent-2-ynylsilane?
The InChIKey is WGJHHFUASCZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Si/c1-7(2,3)5-4-6-8/h6H2,1-3,8H3.
What are the key properties of 4,4-dimethylpent-2-ynylsilane?
4,4-dimethylpent-2-ynylsilane has a molecular weight of 126.27 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-2-ynylsilane is sourced from PubChem (CID 174378257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).