trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane

C19H30Si — CID 71752832

IUPACtrimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane
SMILESCC1=C(/C=C/C(C)=C/C#C[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C19H30Si/c1-16(10-9-15-20(5,6)7)12-13-18-17(2)11-8-14-19(18,3)4/h10,12-13H,8,11,14H2,1-7H3/b13-12+,16-10+
InChIKeyZJGZJNHUUDMYPM-XTQLBDSXSA-N
MW286.54 g/mol
LogP5.90
Rot. Bonds2

About trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane

trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane (PubChem CID 71752832) has the molecular formula C19H30Si and a molecular weight of 286.54 g/mol. Its IUPAC name is trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane
PubChem CID71752832
Molecular FormulaC19H30Si
Molecular Weight286.54 g/mol
Exact Mass286.21
IUPAC Nametrimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane
SMILESCC1=C(/C=C/C(C)=C/C#C[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C19H30Si/c1-16(10-9-15-20(5,6)7)12-13-18-17(2)11-8-14-19(18,3)4/h10,12-13H,8,11,14H2,1-7H3/b13-12+,16-10+
InChIKeyZJGZJNHUUDMYPM-XTQLBDSXSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.54
LogP ≤ 55.90
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane?
The IUPAC name of trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane (CID 71752832) is trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane is CC1=C(/C=C/C(C)=C/C#C[Si](C)(C)C)C(C)(C)CCC1.
What is the InChIKey of trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane?
The InChIKey is ZJGZJNHUUDMYPM-XTQLBDSXSA-N. The full InChI is InChI=1S/C19H30Si/c1-16(10-9-15-20(5,6)7)12-13-18-17(2)11-8-14-19(18,3)4/h10,12-13H,8,11,14H2,1-7H3/b13-12+,16-10+.
What are the key properties of trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane?
trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane has a molecular weight of 286.54 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-3,5-dien-1-ynyl]silane is sourced from PubChem (CID 71752832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).