[(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane

C22H44Si — CID 135008059

IUPAC[(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane
SMILESCCCCCCCC=CC(C)/C(=C/[Si](C)(C)C)CCCCCC
InChIInChI=1S/C22H44Si/c1-7-9-11-13-14-15-16-18-21(3)22(20-23(4,5)6)19-17-12-10-8-2/h16,18,20-21H,7-15,17,19H2,1-6H3/b18-16?,22-20+
InChIKeyYIGAIAJSUBJOCC-TXBKAWCXSA-N
MW336.68 g/mol
LogP8.31
Rot. Bonds14

About [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane

[(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane (PubChem CID 135008059) has the molecular formula C22H44Si and a molecular weight of 336.68 g/mol. Its IUPAC name is [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane
PubChem CID135008059
Molecular FormulaC22H44Si
Molecular Weight336.68 g/mol
Exact Mass336.32
IUPAC Name[(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane
SMILESCCCCCCCC=CC(C)/C(=C/[Si](C)(C)C)CCCCCC
InChIInChI=1S/C22H44Si/c1-7-9-11-13-14-15-16-18-21(3)22(20-23(4,5)6)19-17-12-10-8-2/h16,18,20-21H,7-15,17,19H2,1-6H3/b18-16?,22-20+
InChIKeyYIGAIAJSUBJOCC-TXBKAWCXSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.68
LogP ≤ 58.31
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

cis-2-Methyl-7-octadecene
CID 5363114
2-Methyl-Z-7-hexadecene
CID 5363319
2-Methyl-(Z)-7-octadecene
CID 6242671
2-Methyl-7-octadecene
CID 141995
2-Methylhexadec-7-ene
CID 537212
2,6,14-trimethyl-10-methylene-9-(3-methylpent-4-enyl)-pentadec-6E-ene
CID 5471130
(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
CID 101024689
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
CID 101024693
(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
CID 162882710
(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene
CID 162926941
(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3R)-3-methylpent-4-enylidene]nonadeca-2,6,10-triene
CID 162926942
(E,7S,10S)-2,6,10,14-tetramethyl-7-[(3R)-3-methylpent-4-enyl]pentadec-5-ene
CID 163005396

Frequently Asked Questions

What is the IUPAC name of [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane?
The IUPAC name of [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane (CID 135008059) is [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane?
The canonical SMILES for [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane is CCCCCCCC=CC(C)/C(=C/[Si](C)(C)C)CCCCCC.
What is the InChIKey of [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane?
The InChIKey is YIGAIAJSUBJOCC-TXBKAWCXSA-N. The full InChI is InChI=1S/C22H44Si/c1-7-9-11-13-14-15-16-18-21(3)22(20-23(4,5)6)19-17-12-10-8-2/h16,18,20-21H,7-15,17,19H2,1-6H3/b18-16?,22-20+.
What are the key properties of [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane?
[(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane has a molecular weight of 336.68 g/mol, XLogP of 8.31, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-2-hexyl-3-methyldodeca-1,4-dienyl]-trimethylsilane is sourced from PubChem (CID 135008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).