[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

C37H60O2Si2 — CID 18622669

IUPAC[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C37H60O2Si2/c1-40(2,3)38-25-23-37(24-26-39-41(4,5)6,35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7,9,11,13,15,17,19,21,27-36H,8,10,12,14,16,18,20,22-26H2,1-6H3
InChIKeyCJEPATVFRQGGNT-UHFFFAOYSA-N
MW593.06 g/mol
LogP10.05
Rot. Bonds10

About [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane

[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (PubChem CID 18622669) has the molecular formula C37H60O2Si2 and a molecular weight of 593.06 g/mol. Its IUPAC name is [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.

Molecular Properties

Compound Name[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
PubChem CID18622669
Molecular FormulaC37H60O2Si2
Molecular Weight593.06 g/mol
Exact Mass592.41
IUPAC Name[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane
SMILESC[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C37H60O2Si2/c1-40(2,3)38-25-23-37(24-26-39-41(4,5)6,35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7,9,11,13,15,17,19,21,27-36H,8,10,12,14,16,18,20,22-26H2,1-6H3
InChIKeyCJEPATVFRQGGNT-UHFFFAOYSA-N
XLogP10.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.06
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The IUPAC name of [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane (CID 18622669) is [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane.
What is the SMILES notation for [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The canonical SMILES for [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is C[Si](C)(C)OCCC(CCO[Si](C)(C)C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21.
What is the InChIKey of [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
The InChIKey is CJEPATVFRQGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60O2Si2/c1-40(2,3)38-25-23-37(24-26-39-41(4,5)6,35-31-19-11-7-15-27(31)28-16-8-12-20-32(28)35)36-33-21-13-9-17-29(33)30-18-10-14-22-34(30)36/h7,9,11,13,15,17,19,21,27-36H,8,10,12,14,16,18,20,22-26H2,1-6H3.
What are the key properties of [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane?
[3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane has a molecular weight of 593.06 g/mol, XLogP of 10.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane is sourced from PubChem (CID 18622669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).