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

C19H34OSi — CID 102002934

IUPACtrimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane
SMILESC=CCC(C)(/C=C/C1=C(C)CCCC1(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H34OSi/c1-9-13-19(5,20-21(6,7)8)15-12-17-16(2)11-10-14-18(17,3)4/h9,12,15H,1,10-11,13-14H2,2-8H3/b15-12+
InChIKeyLTPRBWCZLYSYIW-NTCAYCPXSA-N
MW306.57 g/mol
LogP6.26
Rot. Bonds6

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

trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane (PubChem CID 102002934) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane
PubChem CID102002934
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametrimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane
SMILESC=CCC(C)(/C=C/C1=C(C)CCCC1(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H34OSi/c1-9-13-19(5,20-21(6,7)8)15-12-17-16(2)11-10-14-18(17,3)4/h9,12,15H,1,10-11,13-14H2,2-8H3/b15-12+
InChIKeyLTPRBWCZLYSYIW-NTCAYCPXSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane
CID 15440982
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 10632627
(E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 7312693
2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal
CID 10979376
(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
CID 98565733
trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 90964728
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene
CID 15463222
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
(E)-2-pyridin-4-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 162398954

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane?
The IUPAC name of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane (CID 102002934) is trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane is C=CCC(C)(/C=C/C1=C(C)CCCC1(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane?
The InChIKey is LTPRBWCZLYSYIW-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H34OSi/c1-9-13-19(5,20-21(6,7)8)15-12-17-16(2)11-10-14-18(17,3)4/h9,12,15H,1,10-11,13-14H2,2-8H3/b15-12+.
What are the key properties of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane?
trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane has a molecular weight of 306.57 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 102002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).