2-aminoethanol;(Z)-octadec-9-enoic acid

C20H41NO3 — CID 5282489

IUPAC2-aminoethanol;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO
InChIInChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;
InChIKeyKGWDUNBJIMUFAP-KVVVOXFISA-N
MW343.55 g/mol
LogP5.05
Rot. Bonds16

About 2-aminoethanol;(Z)-octadec-9-enoic acid

2-aminoethanol;(Z)-octadec-9-enoic acid (PubChem CID 5282489) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is 2-aminoethanol;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Name2-aminoethanol;(Z)-octadec-9-enoic acid
PubChem CID5282489
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name2-aminoethanol;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO
InChIInChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;
InChIKeyKGWDUNBJIMUFAP-KVVVOXFISA-N
XLogP5.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.55
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;(Z)-octadec-9-enoic acid?
The IUPAC name of 2-aminoethanol;(Z)-octadec-9-enoic acid (CID 5282489) is 2-aminoethanol;(Z)-octadec-9-enoic acid.
What is the SMILES notation for 2-aminoethanol;(Z)-octadec-9-enoic acid?
The canonical SMILES for 2-aminoethanol;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;(Z)-octadec-9-enoic acid?
The InChIKey is KGWDUNBJIMUFAP-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;.
What are the key properties of 2-aminoethanol;(Z)-octadec-9-enoic acid?
2-aminoethanol;(Z)-octadec-9-enoic acid has a molecular weight of 343.55 g/mol, XLogP of 5.05, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 5282489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).