3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane

C12H18Si — CID 91120203

IUPAC3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane
SMILESC=C=C(C)C=C(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H18Si/c1-7-11(2)10-12(3)8-9-13(4,5)6/h10H,1H2,2-6H3
InChIKeyOUOVFSQFEJWKDB-UHFFFAOYSA-N
MW190.36 g/mol
LogP3.54
Rot. Bonds1

About 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane

3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane (PubChem CID 91120203) has the molecular formula C12H18Si and a molecular weight of 190.36 g/mol. Its IUPAC name is 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane
PubChem CID91120203
Molecular FormulaC12H18Si
Molecular Weight190.36 g/mol
Exact Mass190.12
IUPAC Name3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane
SMILESC=C=C(C)C=C(C)C#C[Si](C)(C)C
InChIInChI=1S/C12H18Si/c1-7-11(2)10-12(3)8-9-13(4,5)6/h10H,1H2,2-6H3
InChIKeyOUOVFSQFEJWKDB-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[1-(1-methylethenyl)-1-butenyl]-, (E)-
CID 5366644
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
trimethyl-[4-methyl-3-[(E)-2-trimethylsilylethenyl]pent-3-en-1-ynyl]silane
CID 14175474
(e)-5-(Diethylboryl)-2-methyl-4-(trimethylsilyl)-hepta-2,4-diene
CID 14436725
[(2E)-4,5-dimethylhexa-2,4-dienyl]-trimethylsilane
CID 102473316
trimethyl-[(E)-4-methylhex-3-en-1-ynyl]silane
CID 134901516
trimethyl-[(1E,3E)-3-methylhexa-1,3-dienyl]silane
CID 10535131
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
Trimethyl-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)silane
CID 18347611
4-[(Trimethylsilyl)ethynyl]phenyl magnesium bromide
CID 85563492
[(2E)-2-fluoro-4-methylpenta-2,4-dienyl]-trimethylsilane
CID 173888882
Silane, trimethyl(6-methyl-5-hepten-1-ynyl)-
CID 550064

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane?
The IUPAC name of 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane (CID 91120203) is 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane.
What is the SMILES notation for 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane?
The canonical SMILES for 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane is C=C=C(C)C=C(C)C#C[Si](C)(C)C.
What is the InChIKey of 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane?
The InChIKey is OUOVFSQFEJWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Si/c1-7-11(2)10-12(3)8-9-13(4,5)6/h10H,1H2,2-6H3.
What are the key properties of 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane?
3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane has a molecular weight of 190.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane is sourced from PubChem (CID 91120203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).