bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride

C79H110Cl2O2Si2 — CID 161412930

IUPACbis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride
SMILESCC(C)(C)OCCCCCC[Si](C)(C1c2ccccc2-c2ccc(CC3CCCC3)cc21)C1c2ccccc2-c2ccc(CC3CCCC3)cc21.C[SiH2]CCCCCCOC(C)(C)C.Cl.Cl.c1ccc2c(c1)Cc1cc(CC3CCCC3)ccc1-2
InChIInChI=1S/C49H62OSi.C19H20.C11H26OSi.2ClH/c1-49(2,3)50-29-15-5-6-16-30-51(4,47-43-23-13-11-21-39(43)41-27-25-37(33-45(41)47)31-35-17-7-8-18-35)48-44-24-14-12-22-40(44)42-28-26-38(34-46(42)48)32-36-19-9-10-20-36;1-2-6-14(5-1)11-15-9-10-19-17(12-15)13-16-7-3-4-8-18(16)19;1-11(2,3)12-9-7-5-6-8-10-13-4;;/h11-14,21-28,33-36,47-48H,5-10,15-20,29-32H2,1-4H3;3-4,7-10,12,14H,1-2,5-6,11,13H2;5-10,13H2,1-4H3;2*1H
InChIKeyNHLRSUCXZGUBOC-UHFFFAOYSA-N
MW1218.82 g/mol
LogP22.44
Rot. Bonds22

About bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride

bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride (PubChem CID 161412930) has the molecular formula C79H110Cl2O2Si2 and a molecular weight of 1218.82 g/mol. Its IUPAC name is bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride.

Molecular Properties

Compound Namebis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride
PubChem CID161412930
Molecular FormulaC79H110Cl2O2Si2
Molecular Weight1218.82 g/mol
Exact Mass1216.74
IUPAC Namebis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride
SMILESCC(C)(C)OCCCCCC[Si](C)(C1c2ccccc2-c2ccc(CC3CCCC3)cc21)C1c2ccccc2-c2ccc(CC3CCCC3)cc21.C[SiH2]CCCCCCOC(C)(C)C.Cl.Cl.c1ccc2c(c1)Cc1cc(CC3CCCC3)ccc1-2
InChIInChI=1S/C49H62OSi.C19H20.C11H26OSi.2ClH/c1-49(2,3)50-29-15-5-6-16-30-51(4,47-43-23-13-11-21-39(43)41-27-25-37(33-45(41)47)31-35-17-7-8-18-35)48-44-24-14-12-22-40(44)42-28-26-38(34-46(42)48)32-36-19-9-10-20-36;1-2-6-14(5-1)11-15-9-10-19-17(12-15)13-16-7-3-4-8-18(16)19;1-11(2,3)12-9-7-5-6-8-10-13-4;;/h11-14,21-28,33-36,47-48H,5-10,15-20,29-32H2,1-4H3;3-4,7-10,12,14H,1-2,5-6,11,13H2;5-10,13H2,1-4H3;2*1H
InChIKeyNHLRSUCXZGUBOC-UHFFFAOYSA-N
XLogP22.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.82
LogP ≤ 522.44
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'}

Analyze bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride?
The IUPAC name of bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride (CID 161412930) is bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride.
What is the SMILES notation for bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride?
The canonical SMILES for bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride is CC(C)(C)OCCCCCC[Si](C)(C1c2ccccc2-c2ccc(CC3CCCC3)cc21)C1c2ccccc2-c2ccc(CC3CCCC3)cc21.C[SiH2]CCCCCCOC(C)(C)C.Cl.Cl.c1ccc2c(c1)Cc1cc(CC3CCCC3)ccc1-2.
What is the InChIKey of bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride?
The InChIKey is NHLRSUCXZGUBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H62OSi.C19H20.C11H26OSi.2ClH/c1-49(2,3)50-29-15-5-6-16-30-51(4,47-43-23-13-11-21-39(43)41-27-25-37(33-45(41)47)31-35-17-7-8-18-35)48-44-24-14-12-22-40(44)42-28-26-38(34-46(42)48)32-36-19-9-10-20-36;1-2-6-14(5-1)11-15-9-10-19-17(12-15)13-16-7-3-4-8-18(16)19;1-11(2,3)12-9-7-5-6-8-10-13-4;;/h11-14,21-28,33-36,47-48H,5-10,15-20,29-32H2,1-4H3;3-4,7-10,12,14H,1-2,5-6,11,13H2;5-10,13H2,1-4H3;2*1H.
What are the key properties of bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride?
bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride has a molecular weight of 1218.82 g/mol, XLogP of 22.44, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(cyclopentylmethyl)-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;2-(cyclopentylmethyl)-9H-fluorene;methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dihydrochloride is sourced from PubChem (CID 161412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).