1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine

C27H57NO3Si — CID 174751630

IUPAC1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
SMILESCCCCCCCCN(CCCCCCCC)C1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C27H57NO3Si/c1-7-10-12-14-16-18-23-28(24-19-17-15-13-11-8-2)26-21-20-25-32(30-5,31-6)27(26,29-4)22-9-3/h26H,7-25H2,1-6H3
InChIKeyLOOGCFCZLXKLFO-UHFFFAOYSA-N
MW471.84 g/mol
LogP7.63
Rot. Bonds20

About 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine

1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine (PubChem CID 174751630) has the molecular formula C27H57NO3Si and a molecular weight of 471.84 g/mol. Its IUPAC name is 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine.

Molecular Properties

Compound Name1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
PubChem CID174751630
Molecular FormulaC27H57NO3Si
Molecular Weight471.84 g/mol
Exact Mass471.41
IUPAC Name1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
SMILESCCCCCCCCN(CCCCCCCC)C1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C27H57NO3Si/c1-7-10-12-14-16-18-23-28(24-19-17-15-13-11-8-2)26-21-20-25-32(30-5,31-6)27(26,29-4)22-9-3/h26H,7-25H2,1-6H3
InChIKeyLOOGCFCZLXKLFO-UHFFFAOYSA-N
XLogP7.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.84
LogP ≤ 57.63
H-Bond Donors ≤ 50
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

3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
1,1,2-trimethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propylsilinane
CID 174791973
1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole
CID 174594008
3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174818677
(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate
CID 174267912
2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
CID 174280958
3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
CID 174779788
N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
2-(dihexylamino)cyclohexan-1-ol
CID 139882524

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine?
The IUPAC name of 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine (CID 174751630) is 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine.
What is the SMILES notation for 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine?
The canonical SMILES for 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine is CCCCCCCCN(CCCCCCCC)C1CCC[Si](OC)(OC)C1(CCC)OC.
What is the InChIKey of 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine?
The InChIKey is LOOGCFCZLXKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO3Si/c1-7-10-12-14-16-18-23-28(24-19-17-15-13-11-8-2)26-21-20-25-32(30-5,31-6)27(26,29-4)22-9-3/h26H,7-25H2,1-6H3.
What are the key properties of 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine?
1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine has a molecular weight of 471.84 g/mol, XLogP of 7.63, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine is sourced from PubChem (CID 174751630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).