[(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane

C20H40Si — CID 101127399

IUPAC[(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane
SMILESC=CC(C)(CC/C(C)=C/CCCCC)[Si](CC)(CC)CC
InChIInChI=1S/C20H40Si/c1-8-13-14-15-16-19(6)17-18-20(7,9-2)21(10-3,11-4)12-5/h9,16H,2,8,10-15,17-18H2,1,3-7H3/b19-16+
InChIKeyATNWLWKHBNSDPX-KNTRCKAVSA-N
MW308.63 g/mol
LogP7.75
Rot. Bonds12

About [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane

[(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane (PubChem CID 101127399) has the molecular formula C20H40Si and a molecular weight of 308.63 g/mol. Its IUPAC name is [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane.

Molecular Properties

Compound Name[(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane
PubChem CID101127399
Molecular FormulaC20H40Si
Molecular Weight308.63 g/mol
Exact Mass308.29
IUPAC Name[(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane
SMILESC=CC(C)(CC/C(C)=C/CCCCC)[Si](CC)(CC)CC
InChIInChI=1S/C20H40Si/c1-8-13-14-15-16-19(6)17-18-20(7,9-2)21(10-3,11-4)12-5/h9,16H,2,8,10-15,17-18H2,1,3-7H3/b19-16+
InChIKeyATNWLWKHBNSDPX-KNTRCKAVSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.63
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylfluorosilyl)-3,7-dimethyl-1,6-octadiene
CID 101621262
[(Z)-5-methylhex-2-enyl]-tri(propan-2-yl)silane
CID 10944991
trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
CID 11196759
trimethyl-[(E)-3-methylhept-2-enyl]silane
CID 12886321
[(2E,6E)-3,6-dimethyl-8-trimethylsilylocta-2,6-dienyl]-trimethylsilane
CID 13234485
3,7-Dimethylocta-1,6-dien-3-yl(trimethyl)silane
CID 13330070
dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane
CID 14227308
[(1E)-1-[(2E)-2-hexylidenecyclohexylidene]but-3-enyl]-trimethylsilane
CID 15362815
[(E)-1-cyclohexyloct-1-en-3-yl]-trimethylsilane
CID 16732184
trimethyl-[(E)-2-methyloctadec-7-en-7-yl]silane
CID 92042499
Trimethyl-[1-(3-methylbuta-1,2-dienyl)-2-propan-2-ylidene-4-trimethylsilylcyclohex-3-en-1-yl]silane
CID 100984238
triethyl-[(6E)-10-methylundeca-1,6-dien-3-yl]silane
CID 101127398

Frequently Asked Questions

What is the IUPAC name of [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane?
The IUPAC name of [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane (CID 101127399) is [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane.
What is the SMILES notation for [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane?
The canonical SMILES for [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane is C=CC(C)(CC/C(C)=C/CCCCC)[Si](CC)(CC)CC.
What is the InChIKey of [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane?
The InChIKey is ATNWLWKHBNSDPX-KNTRCKAVSA-N. The full InChI is InChI=1S/C20H40Si/c1-8-13-14-15-16-19(6)17-18-20(7,9-2)21(10-3,11-4)12-5/h9,16H,2,8,10-15,17-18H2,1,3-7H3/b19-16+.
What are the key properties of [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane?
[(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane has a molecular weight of 308.63 g/mol, XLogP of 7.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-3,6-dimethyldodeca-1,6-dien-3-yl]-triethylsilane is sourced from PubChem (CID 101127399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).