(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine

C27H57NO5Si — CID 175228614

IUPAC(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C18H34O2.C9H23NO3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-10H2,1-3H3/b10-9-;
InChIKeyOPLNXSSVMWEIRH-KVVVOXFISA-N
MW503.84 g/mol
LogP7.49
Rot. Bonds24

About (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine

(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine (PubChem CID 175228614) has the molecular formula C27H57NO5Si and a molecular weight of 503.84 g/mol. Its IUPAC name is (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine
PubChem CID175228614
Molecular FormulaC27H57NO5Si
Molecular Weight503.84 g/mol
Exact Mass503.40
IUPAC Name(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C18H34O2.C9H23NO3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-10H2,1-3H3/b10-9-;
InChIKeyOPLNXSSVMWEIRH-KVVVOXFISA-N
XLogP7.49
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.84
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

bis(octadec-9-enoic acid);propane-1,3-diamine
CID 173374697
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
tetradecanoic acid;tetradec-9-enoic acid
CID 162088286
tris(2-aminoethanol);(Z)-octadec-9-enoic acid
CID 158956613
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
(E)-tricos-18-enoic acid
CID 20847589
decanoic acid;(Z)-octadec-9-enoic acid;octanoic acid
CID 160959811
(Z)-henicos-10-enoic acid
CID 171117696
(E)-octadec-8-enoic acid
CID 5282758

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine?
The IUPAC name of (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine (CID 175228614) is (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine?
The canonical SMILES for (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine is CCCCCCCC/C=C\CCCCCCCC(=O)O.CCO[Si](CCCN)(OCC)OCC.
What is the InChIKey of (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine?
The InChIKey is OPLNXSSVMWEIRH-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C9H23NO3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-10H2,1-3H3/b10-9-;.
What are the key properties of (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine?
(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine has a molecular weight of 503.84 g/mol, XLogP of 7.49, 24 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 175228614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).