1-trimethoxysilylhenicos-12-en-4-amine

C24H51NO3Si — CID 91011586

IUPAC1-trimethoxysilylhenicos-12-en-4-amine
SMILESCCCCCCCCC=CCCCCCCCC(N)CCC[Si](OC)(OC)OC
InChIInChI=1S/C24H51NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)22-20-23-29(26-2,27-3)28-4/h12-13,24H,5-11,14-23,25H2,1-4H3
InChIKeyHTTNKWXGENWDAV-UHFFFAOYSA-N
MW429.76 g/mol
LogP7.01
Rot. Bonds22

About 1-trimethoxysilylhenicos-12-en-4-amine

1-trimethoxysilylhenicos-12-en-4-amine (PubChem CID 91011586) has the molecular formula C24H51NO3Si and a molecular weight of 429.76 g/mol. Its IUPAC name is 1-trimethoxysilylhenicos-12-en-4-amine.

Molecular Properties

Compound Name1-trimethoxysilylhenicos-12-en-4-amine
PubChem CID91011586
Molecular FormulaC24H51NO3Si
Molecular Weight429.76 g/mol
Exact Mass429.36
IUPAC Name1-trimethoxysilylhenicos-12-en-4-amine
SMILESCCCCCCCCC=CCCCCCCCC(N)CCC[Si](OC)(OC)OC
InChIInChI=1S/C24H51NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)22-20-23-29(26-2,27-3)28-4/h12-13,24H,5-11,14-23,25H2,1-4H3
InChIKeyHTTNKWXGENWDAV-UHFFFAOYSA-N
XLogP7.01
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.76
LogP ≤ 57.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

heptatriaconta-6,28-dien-19-amine
CID 123539967
2-(3-trimethoxysilylpropyl)octadec-9-enamide
CID 173031259
(9Z,12Z)-octadeca-9,12-dien-4-amine
CID 140562602
trimethoxy(4-methylicosyl)silane
CID 88743380
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
1-[dimethoxy(methyl)silyl]decan-3-amine
CID 150788422
dodecyl(trimethoxy)silane;octane
CID 174570785
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
hexane-1,1-diamine;trimethoxy(propyl)silane
CID 175401211

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylhenicos-12-en-4-amine?
The IUPAC name of 1-trimethoxysilylhenicos-12-en-4-amine (CID 91011586) is 1-trimethoxysilylhenicos-12-en-4-amine.
What is the SMILES notation for 1-trimethoxysilylhenicos-12-en-4-amine?
The canonical SMILES for 1-trimethoxysilylhenicos-12-en-4-amine is CCCCCCCCC=CCCCCCCCC(N)CCC[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylhenicos-12-en-4-amine?
The InChIKey is HTTNKWXGENWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)22-20-23-29(26-2,27-3)28-4/h12-13,24H,5-11,14-23,25H2,1-4H3.
What are the key properties of 1-trimethoxysilylhenicos-12-en-4-amine?
1-trimethoxysilylhenicos-12-en-4-amine has a molecular weight of 429.76 g/mol, XLogP of 7.01, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylhenicos-12-en-4-amine is sourced from PubChem (CID 91011586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).