CID 160972335

C35H91BN6O13Si9 — CID 160972335

IUPAC—
SMILES[2H]O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O[SiH](CN1CCOCC1)OC(C)(C)O[Si](CN1CCOCC1)(O[Si]([B])(C)C)O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O[2H]
InChIInChI=1S/C35H91BN6O13Si9/c1-35(2,47-56(33-41-23-27-45-28-24-41)49-60(9,10)53-62(13,51-58(5,6)43)31-15-19-39-21-17-37)48-64(50-57(3,4)36,34-42-25-29-46-30-26-42)55-61(11,12)54-63(14,52-59(7,8)44)32-16-20-40-22-18-38/h39-40,43-44,56H,15-34,37-38H2,1-14H3/i43D,44D
InChIKeyKDFZRYKBIHBHBG-FMZUIYFCSA-N
MW1069.74 g/mol
LogP1.46
Rot. Bonds36

About CID 160972335

CID 160972335 (PubChem CID 160972335) has the molecular formula C35H91BN6O13Si9 and a molecular weight of 1069.74 g/mol.

Molecular Properties

Compound NameCID 160972335
PubChem CID160972335
Molecular FormulaC35H91BN6O13Si9
Molecular Weight1069.74 g/mol
Exact Mass1068.48
IUPAC Name—
SMILES[2H]O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O[SiH](CN1CCOCC1)OC(C)(C)O[Si](CN1CCOCC1)(O[Si]([B])(C)C)O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O[2H]
InChIInChI=1S/C35H91BN6O13Si9/c1-35(2,47-56(33-41-23-27-45-28-24-41)49-60(9,10)53-62(13,51-58(5,6)43)31-15-19-39-21-17-37)48-64(50-57(3,4)36,34-42-25-29-46-30-26-42)55-61(11,12)54-63(14,52-59(7,8)44)32-16-20-40-22-18-38/h39-40,43-44,56H,15-34,37-38H2,1-14H3/i43D,44D
InChIKeyKDFZRYKBIHBHBG-FMZUIYFCSA-N
XLogP1.46
TPSA224.57 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.74
LogP ≤ 51.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 158310948
CID 158310948
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
N'-[3-(2-aminopropan-2-yloxy-tert-butyl-methylsilyl)propyl]ethane-1,2-diamine
CID 123546077
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
trimethyl-[methyl-(3-morpholin-4-ylpropyl)-trimethylsilyloxysilyl]oxysilane
CID 12884194
[diethoxy(morpholin-4-ylmethyl)silyl]oxy-[[diethoxy(morpholin-4-ylmethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 140836266
trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane
CID 102530971
methoxy-[[[methoxy-methyl-(3-morpholin-4-ylpropyl)silyl]oxy-methyl-(3-morpholin-4-ylpropyl)silyl]oxy-methyl-(3-morpholin-4-ylpropyl)silyl]oxy-methyl-(3-morpholin-4-ylpropyl)silane
CID 171623491
(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699

Frequently Asked Questions

What is the IUPAC name of CID 160972335?
The IUPAC name of CID 160972335 (CID 160972335) is not available.
What is the SMILES notation for CID 160972335?
The canonical SMILES for CID 160972335 is [2H]O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O[SiH](CN1CCOCC1)OC(C)(C)O[Si](CN1CCOCC1)(O[Si]([B])(C)C)O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O[2H].
What is the InChIKey of CID 160972335?
The InChIKey is KDFZRYKBIHBHBG-FMZUIYFCSA-N. The full InChI is InChI=1S/C35H91BN6O13Si9/c1-35(2,47-56(33-41-23-27-45-28-24-41)49-60(9,10)53-62(13,51-58(5,6)43)31-15-19-39-21-17-37)48-64(50-57(3,4)36,34-42-25-29-46-30-26-42)55-61(11,12)54-63(14,52-59(7,8)44)32-16-20-40-22-18-38/h39-40,43-44,56H,15-34,37-38H2,1-14H3/i43D,44D.
What are the key properties of CID 160972335?
CID 160972335 has a molecular weight of 1069.74 g/mol, XLogP of 1.46, 36 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160972335 is sourced from PubChem (CID 160972335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).