3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane

C29H38OSi — CID 18622672

IUPAC3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C29H38OSi/c1-5-29(21-22-30-31(6-2,7-3)8-4,27-19-17-23-13-9-11-15-25(23)27)28-20-18-24-14-10-12-16-26(24)28/h9-20,27-28H,5-8,21-22H2,1-4H3
InChIKeyLVZJUXWWXNBECZ-UHFFFAOYSA-N
MW430.71 g/mol
LogP8.42
Rot. Bonds10

About 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane

3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane (PubChem CID 18622672) has the molecular formula C29H38OSi and a molecular weight of 430.71 g/mol. Its IUPAC name is 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane.

Molecular Properties

Compound Name3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane
PubChem CID18622672
Molecular FormulaC29H38OSi
Molecular Weight430.71 g/mol
Exact Mass430.27
IUPAC Name3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C29H38OSi/c1-5-29(21-22-30-31(6-2,7-3)8-4,27-19-17-23-13-9-11-15-25(23)27)28-20-18-24-14-10-12-16-26(24)28/h9-20,27-28H,5-8,21-22H2,1-4H3
InChIKeyLVZJUXWWXNBECZ-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 58.42
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 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane?
The IUPAC name of 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane (CID 18622672) is 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane.
What is the SMILES notation for 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane?
The canonical SMILES for 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane is CCC(CCO[Si](CC)(CC)CC)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane?
The InChIKey is LVZJUXWWXNBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38OSi/c1-5-29(21-22-30-31(6-2,7-3)8-4,27-19-17-23-13-9-11-15-25(23)27)28-20-18-24-14-10-12-16-26(24)28/h9-20,27-28H,5-8,21-22H2,1-4H3.
What are the key properties of 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane?
3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane has a molecular weight of 430.71 g/mol, XLogP of 8.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1H-inden-1-yl)pentoxy-triethylsilane is sourced from PubChem (CID 18622672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).