[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane

C12H18Si — CID 134860399

IUPAC[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane
SMILESC[Si](C)(C)C1=C[C@H]2C=CC=C[C@@H]1C2
InChIInChI=1S/C12H18Si/c1-13(2,3)12-9-10-6-4-5-7-11(12)8-10/h4-7,9-11H,8H2,1-3H3/t10-,11+/m0/s1
InChIKeyATXWDWJRHWOVFQ-WDEREUQCSA-N
MW190.36 g/mol
LogP3.55
Rot. Bonds1

About [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane

[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane (PubChem CID 134860399) has the molecular formula C12H18Si and a molecular weight of 190.36 g/mol. Its IUPAC name is [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane
PubChem CID134860399
Molecular FormulaC12H18Si
Molecular Weight190.36 g/mol
Exact Mass190.12
IUPAC Name[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane
SMILESC[Si](C)(C)C1=C[C@H]2C=CC=C[C@@H]1C2
InChIInChI=1S/C12H18Si/c1-13(2,3)12-9-10-6-4-5-7-11(12)8-10/h4-7,9-11H,8H2,1-3H3/t10-,11+/m0/s1
InChIKeyATXWDWJRHWOVFQ-WDEREUQCSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Trimethylsilylbicyclo [2.2.1]-hept-2,5-diene
CID 12578034
7,8-Bis(trimethylsilyl)bicyclo[4.2.1]nona-2,4,7-triene
CID 564252
Trimethyl-(5-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 12547573
(5-Butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 15878340
tert-butyl-[(4R)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-2-yl]-dimethylsilane
CID 134887051
tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane
CID 134887068
trimethyl-[(3S,4Z,6E)-2-methylocta-4,6-dien-3-yl]silane
CID 134993479
Bicyclo[4.2.1]nona-2,4,7-triene, 7-(trimethylsilylmethyl)-
CID 553403
trimethyl-[(3R,4Z,6E)-2-methylocta-4,6-dien-3-yl]silane
CID 10584061
[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]-trimethylsilane
CID 10986597
Trimethyl-(2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 12547571
(2-Butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 12547572

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane?
The IUPAC name of [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane (CID 134860399) is [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane.
What is the SMILES notation for [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane?
The canonical SMILES for [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane is C[Si](C)(C)C1=C[C@H]2C=CC=C[C@@H]1C2.
What is the InChIKey of [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane?
The InChIKey is ATXWDWJRHWOVFQ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18Si/c1-13(2,3)12-9-10-6-4-5-7-11(12)8-10/h4-7,9-11H,8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane?
[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane has a molecular weight of 190.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane is sourced from PubChem (CID 134860399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).