9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate

C26H39NO3Si2 — CID 158408156

IUPAC9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H39NO3Si2/c1-6-7-18-31(2,3)30-32(4,5)19-12-17-27-26(28)29-20-25-23-15-10-8-13-21(23)22-14-9-11-16-24(22)25/h8-11,13-16,25H,6-7,12,17-20H2,1-5H3,(H,27,28)
InChIKeyJDJQQSJNWLSOCO-UHFFFAOYSA-N
MW469.77 g/mol
LogP7.14
Rot. Bonds11

About 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate (PubChem CID 158408156) has the molecular formula C26H39NO3Si2 and a molecular weight of 469.77 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate
PubChem CID158408156
Molecular FormulaC26H39NO3Si2
Molecular Weight469.77 g/mol
Exact Mass469.25
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H39NO3Si2/c1-6-7-18-31(2,3)30-32(4,5)19-12-17-27-26(28)29-20-25-23-15-10-8-13-21(23)22-14-9-11-16-24(22)25/h8-11,13-16,25H,6-7,12,17-20H2,1-5H3,(H,27,28)
InChIKeyJDJQQSJNWLSOCO-UHFFFAOYSA-N
XLogP7.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
S-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl] ethanethioate
CID 23597232
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
CID 57330497

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate (CID 158408156) is 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate is CCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate?
The InChIKey is JDJQQSJNWLSOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO3Si2/c1-6-7-18-31(2,3)30-32(4,5)19-12-17-27-26(28)29-20-25-23-15-10-8-13-21(23)22-14-9-11-16-24(22)25/h8-11,13-16,25H,6-7,12,17-20H2,1-5H3,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate has a molecular weight of 469.77 g/mol, XLogP of 7.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate is sourced from PubChem (CID 158408156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).