12-triethoxysilyldodecan-1-amine;hydrochloride

C18H42ClNO3Si — CID 175579282

IUPAC12-triethoxysilyldodecan-1-amine;hydrochloride
SMILESCCO[Si](CCCCCCCCCCCCN)(OCC)OCC.Cl
InChIInChI=1S/C18H41NO3Si.ClH/c1-4-20-23(21-5-2,22-6-3)18-16-14-12-10-8-7-9-11-13-15-17-19;/h4-19H2,1-3H3;1H
InChIKeyRETCGMXIUPNGKC-UHFFFAOYSA-N
MW384.08 g/mol
LogP5.32
Rot. Bonds18

About 12-triethoxysilyldodecan-1-amine;hydrochloride

12-triethoxysilyldodecan-1-amine;hydrochloride (PubChem CID 175579282) has the molecular formula C18H42ClNO3Si and a molecular weight of 384.08 g/mol. Its IUPAC name is 12-triethoxysilyldodecan-1-amine;hydrochloride.

Molecular Properties

Compound Name12-triethoxysilyldodecan-1-amine;hydrochloride
PubChem CID175579282
Molecular FormulaC18H42ClNO3Si
Molecular Weight384.08 g/mol
Exact Mass383.26
IUPAC Name12-triethoxysilyldodecan-1-amine;hydrochloride
SMILESCCO[Si](CCCCCCCCCCCCN)(OCC)OCC.Cl
InChIInChI=1S/C18H41NO3Si.ClH/c1-4-20-23(21-5-2,22-6-3)18-16-14-12-10-8-7-9-11-13-15-17-19;/h4-19H2,1-3H3;1H
InChIKeyRETCGMXIUPNGKC-UHFFFAOYSA-N
XLogP5.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.08
LogP ≤ 55.32
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

36-triethoxysilylhexatriacontan-1-amine
CID 87683625
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
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
triethoxy(17-iodoheptadecyl)silane
CID 87686040
triethoxy(31-iodohentriacontyl)silane
CID 87683557

Frequently Asked Questions

What is the IUPAC name of 12-triethoxysilyldodecan-1-amine;hydrochloride?
The IUPAC name of 12-triethoxysilyldodecan-1-amine;hydrochloride (CID 175579282) is 12-triethoxysilyldodecan-1-amine;hydrochloride.
What is the SMILES notation for 12-triethoxysilyldodecan-1-amine;hydrochloride?
The canonical SMILES for 12-triethoxysilyldodecan-1-amine;hydrochloride is CCO[Si](CCCCCCCCCCCCN)(OCC)OCC.Cl.
What is the InChIKey of 12-triethoxysilyldodecan-1-amine;hydrochloride?
The InChIKey is RETCGMXIUPNGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO3Si.ClH/c1-4-20-23(21-5-2,22-6-3)18-16-14-12-10-8-7-9-11-13-15-17-19;/h4-19H2,1-3H3;1H.
What are the key properties of 12-triethoxysilyldodecan-1-amine;hydrochloride?
12-triethoxysilyldodecan-1-amine;hydrochloride has a molecular weight of 384.08 g/mol, XLogP of 5.32, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-triethoxysilyldodecan-1-amine;hydrochloride is sourced from PubChem (CID 175579282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).