4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane

C37H58OSi — CID 18622695

IUPAC4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C37H58OSi/c1-5-39(6-2,7-3)38-26-16-25-37(4,35-31-21-12-8-17-27(31)28-18-9-13-22-32(28)35)36-33-23-14-10-19-29(33)30-20-11-15-24-34(30)36/h8,10,12,14,17,19,21,23,27-36H,5-7,9,11,13,15-16,18,20,22,24-26H2,1-4H3
InChIKeyZCOCQAIUCGQYJI-UHFFFAOYSA-N
MW546.96 g/mol
LogP10.38
Rot. Bonds10

About 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane

4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane (PubChem CID 18622695) has the molecular formula C37H58OSi and a molecular weight of 546.96 g/mol. Its IUPAC name is 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane.

Molecular Properties

Compound Name4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane
PubChem CID18622695
Molecular FormulaC37H58OSi
Molecular Weight546.96 g/mol
Exact Mass546.43
IUPAC Name4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C37H58OSi/c1-5-39(6-2,7-3)38-26-16-25-37(4,35-31-21-12-8-17-27(31)28-18-9-13-22-32(28)35)36-33-23-14-10-19-29(33)30-20-11-15-24-34(30)36/h8,10,12,14,17,19,21,23,27-36H,5-7,9,11,13,15-16,18,20,22,24-26H2,1-4H3
InChIKeyZCOCQAIUCGQYJI-UHFFFAOYSA-N
XLogP10.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.96
LogP ≤ 510.38
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'}

Analyze 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane 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 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane?
The IUPAC name of 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane (CID 18622695) is 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane.
What is the SMILES notation for 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane?
The canonical SMILES for 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane is CC[Si](CC)(CC)OCCCC(C)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21.
What is the InChIKey of 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane?
The InChIKey is ZCOCQAIUCGQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H58OSi/c1-5-39(6-2,7-3)38-26-16-25-37(4,35-31-21-12-8-17-27(31)28-18-9-13-22-32(28)35)36-33-23-14-10-19-29(33)30-20-11-15-24-34(30)36/h8,10,12,14,17,19,21,23,27-36H,5-7,9,11,13,15-16,18,20,22,24-26H2,1-4H3.
What are the key properties of 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane?
4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane has a molecular weight of 546.96 g/mol, XLogP of 10.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)pentoxy-triethylsilane is sourced from PubChem (CID 18622695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).