(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine

C23H51NO2Si2 — CID 10950043

IUPAC(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine
SMILESCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)CO[Si](C)(C)C
InChIInChI=1S/C23H51NO2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26-28(5,6)7)22(24)21-25-27(2,3)4/h19-20,22-23H,8-18,21,24H2,1-7H3/b20-19+/t22-,23+/m0/s1
InChIKeyOCHIIPDQEYORKC-DWVLVAQTSA-N
MW429.84 g/mol
LogP7.25
Rot. Bonds18

About (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine

(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine (PubChem CID 10950043) has the molecular formula C23H51NO2Si2 and a molecular weight of 429.84 g/mol. Its IUPAC name is (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine.

Molecular Properties

Compound Name(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine
PubChem CID10950043
Molecular FormulaC23H51NO2Si2
Molecular Weight429.84 g/mol
Exact Mass429.35
IUPAC Name(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine
SMILESCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)CO[Si](C)(C)C
InChIInChI=1S/C23H51NO2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26-28(5,6)7)22(24)21-25-27(2,3)4/h19-20,22-23H,8-18,21,24H2,1-7H3/b20-19+/t22-,23+/m0/s1
InChIKeyOCHIIPDQEYORKC-DWVLVAQTSA-N
XLogP7.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.84
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E,2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-amine
CID 12989721
trimethyl-[(E)-undec-2-enoxy]silane
CID 5353184
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
(E)-N-[(E)-1,2-bis(trimethylsilyloxy)heptadec-3-enyl]-2-trimethylsilyloxypentacos-3-enamide
CID 91746019
2-amino-1-methoxyoctadec-4-en-3-ol
CID 54490244
1,1-dimethoxynon-2-ene
CID 71435649
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
1,3-bis(trimethylsilyloxy)propan-2-yl (9E,12E)-octadeca-9,12-dienoate
CID 5377604
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
henicos-4-ene-2,3-diamine
CID 54561895
[(E)-2-amino-3-hydroxyoctadec-4-enyl] 2-hydroxyacetate
CID 22406525
(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-amine
CID 11365820

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine?
The IUPAC name of (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine (CID 10950043) is (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine.
What is the SMILES notation for (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine?
The canonical SMILES for (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine is CCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C)[C@@H](N)CO[Si](C)(C)C.
What is the InChIKey of (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine?
The InChIKey is OCHIIPDQEYORKC-DWVLVAQTSA-N. The full InChI is InChI=1S/C23H51NO2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26-28(5,6)7)22(24)21-25-27(2,3)4/h19-20,22-23H,8-18,21,24H2,1-7H3/b20-19+/t22-,23+/m0/s1.
What are the key properties of (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine?
(E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine has a molecular weight of 429.84 g/mol, XLogP of 7.25, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-1,3-bis(trimethylsilyloxy)heptadec-4-en-2-amine is sourced from PubChem (CID 10950043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).