2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole

C10H18Si — CID 102299021

IUPAC2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole
SMILESC[Si]1(C)CC2=C(CCCC2)C1
InChIInChI=1S/C10H18Si/c1-11(2)7-9-5-3-4-6-10(9)8-11/h3-8H2,1-2H3
InChIKeyIQDMSVLCFUGNPQ-UHFFFAOYSA-N
MW166.34 g/mol
LogP3.58
Rot. Bonds

About 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole

2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole (PubChem CID 102299021) has the molecular formula C10H18Si and a molecular weight of 166.34 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole.

Molecular Properties

Compound Name2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole
PubChem CID102299021
Molecular FormulaC10H18Si
Molecular Weight166.34 g/mol
Exact Mass166.12
IUPAC Name2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole
SMILESC[Si]1(C)CC2=C(CCCC2)C1
InChIInChI=1S/C10H18Si/c1-11(2)7-9-5-3-4-6-10(9)8-11/h3-8H2,1-2H3
InChIKeyIQDMSVLCFUGNPQ-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.34
LogP ≤ 53.58
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

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1,1-Dimethyl-2,3-dipropylsilacyclopent-2-ene
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Silane, (2-hexyl-1-cyclopenten-1-yl)trimethyl-
CID 553181
Trimethyl-(2-methylcyclohexen-1-yl)silane
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2-Octyl-1-trimethylsilylcyclopropene
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trimethyl(2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-yl)silane
CID 145826859
(2-Butylcyclopenten-1-yl)-dimethylsilane
CID 152291597
(3,4-Dimethylcyclohex-3-en-1-yl)-tritritiosilane
CID 177095324
Trimethyl-(2-pentylcyclohexen-1-yl)silane
CID 10443628
(2-Butylcyclobuten-1-yl)-trimethylsilane
CID 10535451
Trimethyl[1-(2-methylcyclopent-1-en-1-yl)ethyl]silane
CID 15129638

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole?
The IUPAC name of 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole (CID 102299021) is 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole.
What is the SMILES notation for 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole?
The canonical SMILES for 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole is C[Si]1(C)CC2=C(CCCC2)C1.
What is the InChIKey of 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole?
The InChIKey is IQDMSVLCFUGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Si/c1-11(2)7-9-5-3-4-6-10(9)8-11/h3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole?
2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole has a molecular weight of 166.34 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,4,5,6,7-hexahydro-2-benzosilole is sourced from PubChem (CID 102299021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).