2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane

C18H26OSi — CID 58630456

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
SMILESC[Si](C)(OC1CCC2C=CC=CC21)C1CC2C=CC1C2
InChIInChI=1S/C18H26OSi/c1-20(2,18-12-13-7-8-15(18)11-13)19-17-10-9-14-5-3-4-6-16(14)17/h3-8,13-18H,9-12H2,1-2H3
InChIKeySELNWURFKRELLQ-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.70
Rot. Bonds3

About 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane (PubChem CID 58630456) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
PubChem CID58630456
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
SMILESC[Si](C)(OC1CCC2C=CC=CC21)C1CC2C=CC1C2
InChIInChI=1S/C18H26OSi/c1-20(2,18-12-13-7-8-15(18)11-13)19-17-10-9-14-5-3-4-6-16(14)17/h3-8,13-18H,9-12H2,1-2H3
InChIKeySELNWURFKRELLQ-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

bis[2-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 18736444
CID 18736445
CID 18736445
carbanide;dichlorozirconium;bis(2,3-dimethylbutan-2-yl-[(1-methanidyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]-dimethylsilane)
CID 20678367
bis(tert-butyl-[(1-methanidyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]-dimethylsilane);carbanide;dichlorozirconium
CID 20678370
[1-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630452
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630454
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
CID 58630455
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630457
[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630461
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630462
but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane
CID 58630463
[3-[2-[3-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630468

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane (CID 58630456) is 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane is C[Si](C)(OC1CCC2C=CC=CC21)C1CC2C=CC1C2.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
The InChIKey is SELNWURFKRELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OSi/c1-20(2,18-12-13-7-8-15(18)11-13)19-17-10-9-14-5-3-4-6-16(14)17/h3-8,13-18H,9-12H2,1-2H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane?
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane is sourced from PubChem (CID 58630456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).