[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane

C25H40OSi — CID 18622636

IUPAC[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1=CC=CC1)C1CCC2C=CC=CC21
InChIInChI=1S/C25H40OSi/c1-5-27(6-2,7-3)26-20-12-19-25(4,22-14-9-10-15-22)24-18-17-21-13-8-11-16-23(21)24/h8-11,13-14,16,21,23-24H,5-7,12,15,17-20H2,1-4H3
InChIKeyWJAASOYJGYZFNG-UHFFFAOYSA-N
MW384.68 g/mol
LogP7.45
Rot. Bonds10

About [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane

[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane (PubChem CID 18622636) has the molecular formula C25H40OSi and a molecular weight of 384.68 g/mol. Its IUPAC name is [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane.

Molecular Properties

Compound Name[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
PubChem CID18622636
Molecular FormulaC25H40OSi
Molecular Weight384.68 g/mol
Exact Mass384.28
IUPAC Name[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1=CC=CC1)C1CCC2C=CC=CC21
InChIInChI=1S/C25H40OSi/c1-5-27(6-2,7-3)26-20-12-19-25(4,22-14-9-10-15-22)24-18-17-21-13-8-11-16-23(21)24/h8-11,13-14,16,21,23-24H,5-7,12,15,17-20H2,1-4H3
InChIKeyWJAASOYJGYZFNG-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The IUPAC name of [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane (CID 18622636) is [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane.
What is the SMILES notation for [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The canonical SMILES for [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane is CC[Si](CC)(CC)OCCCC(C)(C1=CC=CC1)C1CCC2C=CC=CC21.
What is the InChIKey of [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
The InChIKey is WJAASOYJGYZFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OSi/c1-5-27(6-2,7-3)26-20-12-19-25(4,22-14-9-10-15-22)24-18-17-21-13-8-11-16-23(21)24/h8-11,13-14,16,21,23-24H,5-7,12,15,17-20H2,1-4H3.
What are the key properties of [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane?
[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-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 [4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-4-cyclopenta-1,3-dien-1-ylpentoxy]-triethylsilane is sourced from PubChem (CID 18622636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).