36-trimethoxysilylhexatriacontan-1-amine

C39H83NO3Si — CID 87680936

IUPAC36-trimethoxysilylhexatriacontan-1-amine
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OC)OC
InChIInChI=1S/C39H83NO3Si/c1-41-44(42-2,43-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40/h4-40H2,1-3H3
InChIKeyHZTFEKBSQSYQPC-UHFFFAOYSA-N
MW642.18 g/mol
LogP13.09
Rot. Bonds39

About 36-trimethoxysilylhexatriacontan-1-amine

36-trimethoxysilylhexatriacontan-1-amine (PubChem CID 87680936) has the molecular formula C39H83NO3Si and a molecular weight of 642.18 g/mol. Its IUPAC name is 36-trimethoxysilylhexatriacontan-1-amine.

Molecular Properties

Compound Name36-trimethoxysilylhexatriacontan-1-amine
PubChem CID87680936
Molecular FormulaC39H83NO3Si
Molecular Weight642.18 g/mol
Exact Mass641.61
IUPAC Name36-trimethoxysilylhexatriacontan-1-amine
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OC)OC
InChIInChI=1S/C39H83NO3Si/c1-41-44(42-2,43-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40/h4-40H2,1-3H3
InChIKeyHZTFEKBSQSYQPC-UHFFFAOYSA-N
XLogP13.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.18
LogP ≤ 513.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

33-trimethoxysilyltritriacontan-1-amine
CID 87686996
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
11-[ethyl(dimethoxy)silyl]undecan-1-amine
CID 88501782
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(pentacontyl)silane
CID 87930715

Frequently Asked Questions

What is the IUPAC name of 36-trimethoxysilylhexatriacontan-1-amine?
The IUPAC name of 36-trimethoxysilylhexatriacontan-1-amine (CID 87680936) is 36-trimethoxysilylhexatriacontan-1-amine.
What is the SMILES notation for 36-trimethoxysilylhexatriacontan-1-amine?
The canonical SMILES for 36-trimethoxysilylhexatriacontan-1-amine is CO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OC)OC.
What is the InChIKey of 36-trimethoxysilylhexatriacontan-1-amine?
The InChIKey is HZTFEKBSQSYQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H83NO3Si/c1-41-44(42-2,43-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40/h4-40H2,1-3H3.
What are the key properties of 36-trimethoxysilylhexatriacontan-1-amine?
36-trimethoxysilylhexatriacontan-1-amine has a molecular weight of 642.18 g/mol, XLogP of 13.09, 39 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 36-trimethoxysilylhexatriacontan-1-amine is sourced from PubChem (CID 87680936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).