36-triethoxysilylhexatriacontan-1-amine

C42H89NO3Si — CID 87683625

IUPAC36-triethoxysilylhexatriacontan-1-amine
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OCC)OCC
InChIInChI=1S/C42H89NO3Si/c1-4-44-47(45-5-2,46-6-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43/h4-43H2,1-3H3
InChIKeyLKNDSYGTVROJDQ-UHFFFAOYSA-N
MW684.26 g/mol
LogP14.26
Rot. Bonds42

About 36-triethoxysilylhexatriacontan-1-amine

36-triethoxysilylhexatriacontan-1-amine (PubChem CID 87683625) has the molecular formula C42H89NO3Si and a molecular weight of 684.26 g/mol. Its IUPAC name is 36-triethoxysilylhexatriacontan-1-amine.

Molecular Properties

Compound Name36-triethoxysilylhexatriacontan-1-amine
PubChem CID87683625
Molecular FormulaC42H89NO3Si
Molecular Weight684.26 g/mol
Exact Mass683.66
IUPAC Name36-triethoxysilylhexatriacontan-1-amine
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OCC)OCC
InChIInChI=1S/C42H89NO3Si/c1-4-44-47(45-5-2,46-6-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43/h4-43H2,1-3H3
InChIKeyLKNDSYGTVROJDQ-UHFFFAOYSA-N
XLogP14.26
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.26
LogP ≤ 514.26
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

12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
triethoxy(17-iodoheptadecyl)silane
CID 87686040
20-triethoxysilylicosane-1-thiol
CID 87684173

Frequently Asked Questions

What is the IUPAC name of 36-triethoxysilylhexatriacontan-1-amine?
The IUPAC name of 36-triethoxysilylhexatriacontan-1-amine (CID 87683625) is 36-triethoxysilylhexatriacontan-1-amine.
What is the SMILES notation for 36-triethoxysilylhexatriacontan-1-amine?
The canonical SMILES for 36-triethoxysilylhexatriacontan-1-amine is CCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OCC)OCC.
What is the InChIKey of 36-triethoxysilylhexatriacontan-1-amine?
The InChIKey is LKNDSYGTVROJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H89NO3Si/c1-4-44-47(45-5-2,46-6-3)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43/h4-43H2,1-3H3.
What are the key properties of 36-triethoxysilylhexatriacontan-1-amine?
36-triethoxysilylhexatriacontan-1-amine has a molecular weight of 684.26 g/mol, XLogP of 14.26, 42 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 36-triethoxysilylhexatriacontan-1-amine is sourced from PubChem (CID 87683625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).