2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane

C18H34OSi — CID 91363529

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CCC2CCCCC21)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-6-13-20(14(2)3,15(4)5)19-18-12-11-16-9-7-8-10-17(16)18/h6,14-18H,1,7-13H2,2-5H3
InChIKeyUYBVCTJGVSRQBM-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.92
Rot. Bonds6

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane (PubChem CID 91363529) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
PubChem CID91363529
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CCC2CCCCC21)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-6-13-20(14(2)3,15(4)5)19-18-12-11-16-9-7-8-10-17(16)18/h6,14-18H,1,7-13H2,2-5H3
InChIKeyUYBVCTJGVSRQBM-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.92
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

(3a-methyl-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75219742
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
CID 90760130
[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 90798254
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
CID 90806455
[3-[2-[3-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 90984074
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 91574289
tert-butyl-dimethyl-[(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)oxy]silane
CID 18736443
[(1S,3aS,7aS)-3a-methyl-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 46846091
tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
CID 59879661

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane (CID 91363529) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane is C=CC[Si](OC1CCC2CCCCC21)(C(C)C)C(C)C.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
The InChIKey is UYBVCTJGVSRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-6-13-20(14(2)3,15(4)5)19-18-12-11-16-9-7-8-10-17(16)18/h6,14-18H,1,7-13H2,2-5H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane is sourced from PubChem (CID 91363529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).