2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane

C18H30OSi — CID 58630454

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CCC2C=CC=CC21)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-6-13-20(14(2)3,15(4)5)19-18-12-11-16-9-7-8-10-17(16)18/h6-10,14-18H,1,11-13H2,2-5H3
InChIKeyGGJJFKQRWAFKBE-UHFFFAOYSA-N
MW290.52 g/mol
LogP5.48
Rot. Bonds6

About 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane (PubChem CID 58630454) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
PubChem CID58630454
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CCC2C=CC=CC21)(C(C)C)C(C)C
InChIInChI=1S/C18H30OSi/c1-6-13-20(14(2)3,15(4)5)19-18-12-11-16-9-7-8-10-17(16)18/h6-10,14-18H,1,11-13H2,2-5H3
InChIKeyGGJJFKQRWAFKBE-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.48
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

[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
CID 11097819
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
trans-Indan-1,2-diol, bis-TMS
CID 6427270
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
CID 18736445
CID 18736445
[(1S,3aS,7aS)-4-ethenyl-5,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 58379355
[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-2-yloxy-but-3-enyl-di(propan-2-yl)silane
CID 58630455
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630456
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630457
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630462

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane (CID 58630454) is 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane is C=CC[Si](OC1CCC2C=CC=CC21)(C(C)C)C(C)C.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
The InChIKey is GGJJFKQRWAFKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-6-13-20(14(2)3,15(4)5)19-18-12-11-16-9-7-8-10-17(16)18/h6-10,14-18H,1,11-13H2,2-5H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane?
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane has a molecular weight of 290.52 g/mol, XLogP of 5.48, 6 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-di(propan-2-yl)-prop-2-enylsilane is sourced from PubChem (CID 58630454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).