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

C43H72O2Si2 — CID 18622634

IUPAC[2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(CO[Si](CC)(CC)CC)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C43H72O2Si2/c1-7-46(8-2,9-3)44-31-21-30-43(32-45-47(10-4,11-5)12-6,41-37-26-17-13-22-33(37)34-23-14-18-27-38(34)41)42-39-28-19-15-24-35(39)36-25-16-20-29-40(36)42/h13,15,17,19,22,24,26,28,33-42H,7-12,14,16,18,20-21,23,25,27,29-32H2,1-6H3
InChIKeyIKSMALYKJCRSCR-UHFFFAOYSA-N
MW677.22 g/mol
LogP12.39
Rot. Bonds16

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

[2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane (PubChem CID 18622634) has the molecular formula C43H72O2Si2 and a molecular weight of 677.22 g/mol. Its IUPAC name is [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane.

Molecular Properties

Compound Name[2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane
PubChem CID18622634
Molecular FormulaC43H72O2Si2
Molecular Weight677.22 g/mol
Exact Mass676.51
IUPAC Name[2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OCCCC(CO[Si](CC)(CC)CC)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21
InChIInChI=1S/C43H72O2Si2/c1-7-46(8-2,9-3)44-31-21-30-43(32-45-47(10-4,11-5)12-6,41-37-26-17-13-22-33(37)34-23-14-18-27-38(34)41)42-39-28-19-15-24-35(39)36-25-16-20-29-40(36)42/h13,15,17,19,22,24,26,28,33-42H,7-12,14,16,18,20-21,23,25,27,29-32H2,1-6H3
InChIKeyIKSMALYKJCRSCR-UHFFFAOYSA-N
XLogP12.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.22
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The IUPAC name of [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane (CID 18622634) is [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane.
What is the SMILES notation for [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The canonical SMILES for [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane is CC[Si](CC)(CC)OCCCC(CO[Si](CC)(CC)CC)(C1C2C=CC=CC2C2CCCCC21)C1C2C=CC=CC2C2CCCCC21.
What is the InChIKey of [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
The InChIKey is IKSMALYKJCRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H72O2Si2/c1-7-46(8-2,9-3)44-31-21-30-43(32-45-47(10-4,11-5)12-6,41-37-26-17-13-22-33(37)34-23-14-18-27-38(34)41)42-39-28-19-15-24-35(39)36-25-16-20-29-40(36)42/h13,15,17,19,22,24,26,28,33-42H,7-12,14,16,18,20-21,23,25,27,29-32H2,1-6H3.
What are the key properties of [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane?
[2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane has a molecular weight of 677.22 g/mol, XLogP of 12.39, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl)-5-triethylsilyloxypentoxy]-triethylsilane is sourced from PubChem (CID 18622634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).