3,5-dimethylhept-1-ynyl(trimethyl)silane

C12H24Si — CID 58467900

IUPAC3,5-dimethylhept-1-ynyl(trimethyl)silane
SMILESCCC(C)CC(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H24Si/c1-7-11(2)10-12(3)8-9-13(4,5)6/h11-12H,7,10H2,1-6H3
InChIKeyOCFMUNFJHAPNKP-UHFFFAOYSA-N
MW196.41 g/mol
LogP3.94
Rot. Bonds3

About 3,5-dimethylhept-1-ynyl(trimethyl)silane

3,5-dimethylhept-1-ynyl(trimethyl)silane (PubChem CID 58467900) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is 3,5-dimethylhept-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name3,5-dimethylhept-1-ynyl(trimethyl)silane
PubChem CID58467900
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Name3,5-dimethylhept-1-ynyl(trimethyl)silane
SMILESCCC(C)CC(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H24Si/c1-7-11(2)10-12(3)8-9-13(4,5)6/h11-12H,7,10H2,1-6H3
InChIKeyOCFMUNFJHAPNKP-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 53.94
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'}

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Related Compounds

3,5-dimethylheptane;ethane
CID 172617343
methyl-tris(2-methylbutyl)phosphanium
CID 18415083
(4S)-2,4-dimethylhexane
CID 22810193
(5S)-3-ethyl-5-methylheptane
CID 59094044
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
hydroxy-dimethyl-(2-methylbutyl)silane
CID 57226261
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
(2S)-4-methylhexan-2-amine
CID 141201507
2,4,6,8-tetramethyldecane
CID 54224604
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
4-methylhexane-2-thiol
CID 118408807

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhept-1-ynyl(trimethyl)silane?
The IUPAC name of 3,5-dimethylhept-1-ynyl(trimethyl)silane (CID 58467900) is 3,5-dimethylhept-1-ynyl(trimethyl)silane.
What is the SMILES notation for 3,5-dimethylhept-1-ynyl(trimethyl)silane?
The canonical SMILES for 3,5-dimethylhept-1-ynyl(trimethyl)silane is CCC(C)CC(C)C#C[Si](C)(C)C.
What is the InChIKey of 3,5-dimethylhept-1-ynyl(trimethyl)silane?
The InChIKey is OCFMUNFJHAPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si/c1-7-11(2)10-12(3)8-9-13(4,5)6/h11-12H,7,10H2,1-6H3.
What are the key properties of 3,5-dimethylhept-1-ynyl(trimethyl)silane?
3,5-dimethylhept-1-ynyl(trimethyl)silane has a molecular weight of 196.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhept-1-ynyl(trimethyl)silane is sourced from PubChem (CID 58467900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).