dihydroxy(oxo)silane;bis(octadecan-1-amine)

C36H80N2O3Si — CID 173216664

IUPACdihydroxy(oxo)silane;bis(octadecan-1-amine)
SMILESCCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCN.O=[Si](O)O
InChIInChI=1S/2C18H39N.H2O3Si/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h2*2-19H2,1H3;1-2H
InChIKeyQIFVISDWMZSHOR-UHFFFAOYSA-N
MW617.13 g/mol
LogP10.80
Rot. Bonds32

About dihydroxy(oxo)silane;bis(octadecan-1-amine)

dihydroxy(oxo)silane;bis(octadecan-1-amine) (PubChem CID 173216664) has the molecular formula C36H80N2O3Si and a molecular weight of 617.13 g/mol. Its IUPAC name is dihydroxy(oxo)silane;bis(octadecan-1-amine).

Molecular Properties

Compound Namedihydroxy(oxo)silane;bis(octadecan-1-amine)
PubChem CID173216664
Molecular FormulaC36H80N2O3Si
Molecular Weight617.13 g/mol
Exact Mass616.59
IUPAC Namedihydroxy(oxo)silane;bis(octadecan-1-amine)
SMILESCCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCN.O=[Si](O)O
InChIInChI=1S/2C18H39N.H2O3Si/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h2*2-19H2,1H3;1-2H
InChIKeyQIFVISDWMZSHOR-UHFFFAOYSA-N
XLogP10.80
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.13
LogP ≤ 510.80
H-Bond Donors ≤ 54
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

formic acid;heptan-1-amine
CID 144828464
decan-1-amine;formic acid
CID 157494086
dodecan-1-amine;hydroxylamine
CID 175960605
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
hexadecan-1-amine;propan-2-one
CID 175396285
decan-1-amine;dihydrochloride
CID 172731620
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)silane;bis(octadecan-1-amine)?
The IUPAC name of dihydroxy(oxo)silane;bis(octadecan-1-amine) (CID 173216664) is dihydroxy(oxo)silane;bis(octadecan-1-amine).
What is the SMILES notation for dihydroxy(oxo)silane;bis(octadecan-1-amine)?
The canonical SMILES for dihydroxy(oxo)silane;bis(octadecan-1-amine) is CCCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCN.O=[Si](O)O.
What is the InChIKey of dihydroxy(oxo)silane;bis(octadecan-1-amine)?
The InChIKey is QIFVISDWMZSHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H39N.H2O3Si/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h2*2-19H2,1H3;1-2H.
What are the key properties of dihydroxy(oxo)silane;bis(octadecan-1-amine)?
dihydroxy(oxo)silane;bis(octadecan-1-amine) has a molecular weight of 617.13 g/mol, XLogP of 10.80, 32 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)silane;bis(octadecan-1-amine) is sourced from PubChem (CID 173216664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).