[(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane

C18H30Si — CID 102110376

IUPAC[(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane
SMILESCCCC/C(C[Si](C)(C)C)=C1/CC2C=CC=CC1C2
InChIInChI=1S/C18H30Si/c1-5-6-10-17(14-19(2,3)4)18-13-15-9-7-8-11-16(18)12-15/h7-9,11,15-16H,5-6,10,12-14H2,1-4H3/b18-17+
InChIKeyXJTKIEDEGMQYOB-ISLYRVAYSA-N
MW274.52 g/mol
LogP5.96
Rot. Bonds5

About [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane

[(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane (PubChem CID 102110376) has the molecular formula C18H30Si and a molecular weight of 274.52 g/mol. Its IUPAC name is [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane.

Molecular Properties

Compound Name[(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane
PubChem CID102110376
Molecular FormulaC18H30Si
Molecular Weight274.52 g/mol
Exact Mass274.21
IUPAC Name[(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane
SMILESCCCC/C(C[Si](C)(C)C)=C1/CC2C=CC=CC1C2
InChIInChI=1S/C18H30Si/c1-5-6-10-17(14-19(2,3)4)18-13-15-9-7-8-11-16(18)12-15/h7-9,11,15-16H,5-6,10,12-14H2,1-4H3/b18-17+
InChIKeyXJTKIEDEGMQYOB-ISLYRVAYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[2-(8-trimethylsilyl-7-bicyclo[4.2.1]nona-2,4,7-trienyl)ethynyl]silane
CID 101492848
1-Ethenyl-3 (1-hexenyl)-4-trimethylsilyl cyclopentane
CID 551987
[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane
CID 134860399
tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane
CID 134887101
Spiro[4.6]undeca-6,8,10-triene, 7,9-bis(trimethylsilyl)-
CID 553389
Bicyclo[4.2.1]nona-2,4,7-triene, 7-(trimethylsilylmethyl)-
CID 553403
1-Ethenyl-3-(1-hexenyl)-4-trimethylsilylcyclopentane
CID 5366334
1,3-Bis(hex-1-enyl)-4-trimethylsilylcyclopentane
CID 5366679
(2-Butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 12547572
[(1E,3Z)-cycloocta-1,3-dien-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 18970754
Trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
CID 21188919
[(E)-3-(3-ethenylcyclopentyl)prop-2-enyl]-trimethylsilane
CID 23513355

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane?
The IUPAC name of [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane (CID 102110376) is [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane.
What is the SMILES notation for [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane?
The canonical SMILES for [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane is CCCC/C(C[Si](C)(C)C)=C1/CC2C=CC=CC1C2.
What is the InChIKey of [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane?
The InChIKey is XJTKIEDEGMQYOB-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H30Si/c1-5-6-10-17(14-19(2,3)4)18-13-15-9-7-8-11-16(18)12-15/h7-9,11,15-16H,5-6,10,12-14H2,1-4H3/b18-17+.
What are the key properties of [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane?
[(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane has a molecular weight of 274.52 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(7-bicyclo[4.2.1]nona-2,4-dienylidene)hexyl]-trimethylsilane is sourced from PubChem (CID 102110376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).