chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane

C17H27ClSi — CID 157469974

IUPACchloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1=C(C)C2C(C)=C(C)C([Si](C)(C)Cl)C2C(C)=C1C
InChIInChI=1S/C17H27ClSi/c1-9-10(2)12(4)16-15(11(9)3)13(5)14(6)17(16)19(7,8)18/h15-17H,1-8H3
InChIKeyBUXMZWPKPRITQV-UHFFFAOYSA-N
MW294.94 g/mol
LogP6.07
Rot. Bonds1

About chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane

chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 157469974) has the molecular formula C17H27ClSi and a molecular weight of 294.94 g/mol. Its IUPAC name is chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane
PubChem CID157469974
Molecular FormulaC17H27ClSi
Molecular Weight294.94 g/mol
Exact Mass294.16
IUPAC Namechloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1=C(C)C2C(C)=C(C)C([Si](C)(C)Cl)C2C(C)=C1C
InChIInChI=1S/C17H27ClSi/c1-9-10(2)12(4)16-15(11(9)3)13(5)14(6)17(16)19(7,8)18/h15-17H,1-8H3
InChIKeyBUXMZWPKPRITQV-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.94
LogP ≤ 56.07
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+);trichloride
CID 17783141
Tert-butyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;titanium(4+);trichloride
CID 17783169
1,2,3-Trimethyl-4,5,6,7-tetrahydroindenyltrimethylsilane
CID 23355510
(3-ethyl-2-methyl-4,5,6,7-tetrahydro-3H-inden-1-yl)-trimethylsilane
CID 54502550
Chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 91246606
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-methyl-propylsilane
CID 140769834
bis[(3aS)-2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl]-dimethylsilane
CID 140769840
Tert-butyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;titanium
CID 173302716
Tert-butyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium
CID 173302977
trimethyl-[(4,6,7-trimethyl-7,7a-dihydro-3H-inden-1-yl)methyl]silane
CID 173761987
(1-Butyl-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 176332028
2,3,3a,4-tetrahydro-1H-inden-1-yl-chloro-dimethylsilane
CID 88385908

Frequently Asked Questions

What is the IUPAC name of chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane (CID 157469974) is chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane is CC1=C(C)C2C(C)=C(C)C([Si](C)(C)Cl)C2C(C)=C1C.
What is the InChIKey of chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is BUXMZWPKPRITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClSi/c1-9-10(2)12(4)16-15(11(9)3)13(5)14(6)17(16)19(7,8)18/h15-17H,1-8H3.
What are the key properties of chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane?
chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 294.94 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,3,4,5,6,7-hexamethyl-3a,7a-dihydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 157469974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).