3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane

C29H46OSi — CID 18622688

IUPAC3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C29H46OSi/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/h9-16,23-28H,5-8,17-22H2,1-4H3
InChIKeyVZNNEKALCZUYOX-UHFFFAOYSA-N
MW438.77 g/mol
LogP8.33
Rot. Bonds10

About 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane

3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane (PubChem CID 18622688) has the molecular formula C29H46OSi and a molecular weight of 438.77 g/mol. Its IUPAC name is 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane.

Molecular Properties

Compound Name3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
PubChem CID18622688
Molecular FormulaC29H46OSi
Molecular Weight438.77 g/mol
Exact Mass438.33
IUPAC Name3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane
SMILESCCC(CCO[Si](CC)(CC)CC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C29H46OSi/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/h9-16,23-28H,5-8,17-22H2,1-4H3
InChIKeyVZNNEKALCZUYOX-UHFFFAOYSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.77
LogP ≤ 58.33
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(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane?
The IUPAC name of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane (CID 18622688) is 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane.
What is the SMILES notation for 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane?
The canonical SMILES for 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane is CCC(CCO[Si](CC)(CC)CC)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane?
The InChIKey is VZNNEKALCZUYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46OSi/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/h9-16,23-28H,5-8,17-22H2,1-4H3.
What are the key properties of 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane?
3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane has a molecular weight of 438.77 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentoxy-triethylsilane is sourced from PubChem (CID 18622688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).