[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

C29H48O2Si2 — CID 18622704

IUPAC[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C29H48O2Si2/c1-32(2,3)30-21-19-29(20-22-31-33(4,5)6,27-17-15-23-11-7-9-13-25(23)27)28-18-16-24-12-8-10-14-26(24)28/h7-14,23-28H,15-22H2,1-6H3
InChIKeyLTZHWANJSJZINE-UHFFFAOYSA-N
MW484.87 g/mol
LogP7.99
Rot. Bonds10

About [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (PubChem CID 18622704) has the molecular formula C29H48O2Si2 and a molecular weight of 484.87 g/mol. Its IUPAC name is [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.

Molecular Properties

Compound Name[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
PubChem CID18622704
Molecular FormulaC29H48O2Si2
Molecular Weight484.87 g/mol
Exact Mass484.32
IUPAC Name[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C29H48O2Si2/c1-32(2,3)30-21-19-29(20-22-31-33(4,5)6,27-17-15-23-11-7-9-13-25(23)27)28-18-16-24-12-8-10-14-26(24)28/h7-14,23-28H,15-22H2,1-6H3
InChIKeyLTZHWANJSJZINE-UHFFFAOYSA-N
XLogP7.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The IUPAC name of [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (CID 18622704) is [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.
What is the SMILES notation for [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The canonical SMILES for [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is C[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The InChIKey is LTZHWANJSJZINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48O2Si2/c1-32(2,3)30-21-19-29(20-22-31-33(4,5)6,27-17-15-23-11-7-9-13-25(23)27)28-18-16-24-12-8-10-14-26(24)28/h7-14,23-28H,15-22H2,1-6H3.
What are the key properties of [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane has a molecular weight of 484.87 g/mol, XLogP of 7.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is sourced from PubChem (CID 18622704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).