[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane

C25H40OSi — CID 18622714

IUPAC[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1CCC2C=CC=CC21
InChIInChI=1S/C25H40OSi/c1-5-25(22-14-10-11-15-22,19-20-26-27(6-2,7-3)8-4)24-18-17-21-13-9-12-16-23(21)24/h9-14,16,21,23-24H,5-8,15,17-20H2,1-4H3
InChIKeyVWRJJPLBRHEIJR-UHFFFAOYSA-N
MW384.68 g/mol
LogP7.45
Rot. Bonds10

About [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane

[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane (PubChem CID 18622714) has the molecular formula C25H40OSi and a molecular weight of 384.68 g/mol. Its IUPAC name is [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane.

Molecular Properties

Compound Name[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
PubChem CID18622714
Molecular FormulaC25H40OSi
Molecular Weight384.68 g/mol
Exact Mass384.28
IUPAC Name[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1CCC2C=CC=CC21
InChIInChI=1S/C25H40OSi/c1-5-25(22-14-10-11-15-22,19-20-26-27(6-2,7-3)8-4)24-18-17-21-13-9-12-16-23(21)24/h9-14,16,21,23-24H,5-8,15,17-20H2,1-4H3
InChIKeyVWRJJPLBRHEIJR-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The IUPAC name of [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane (CID 18622714) is [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane.
What is the SMILES notation for [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The canonical SMILES for [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane is CCC(CCO[Si](CC)(CC)CC)(C1=CC=CC1)C1CCC2C=CC=CC21.
What is the InChIKey of [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The InChIKey is VWRJJPLBRHEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OSi/c1-5-25(22-14-10-11-15-22,19-20-26-27(6-2,7-3)8-4)24-18-17-21-13-9-12-16-23(21)24/h9-14,16,21,23-24H,5-8,15,17-20H2,1-4H3.
What are the key properties of [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
[3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane has a molecular weight of 384.68 g/mol, XLogP of 7.45, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-3-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane is sourced from PubChem (CID 18622714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).