amino (Z)-octadec-9-enoate

C18H35NO2 — CID 87082504

IUPACamino (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)ON
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)21-19/h9-10H,2-8,11-17,19H2,1H3/b10-9-
InChIKeySFEWMGIPBBLNJX-KTKRTIGZSA-N
MW297.48 g/mol
LogP5.44
Rot. Bonds15

About amino (Z)-octadec-9-enoate

amino (Z)-octadec-9-enoate (PubChem CID 87082504) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is amino (Z)-octadec-9-enoate.

Molecular Properties

Compound Nameamino (Z)-octadec-9-enoate
PubChem CID87082504
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Nameamino (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)ON
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)21-19/h9-10H,2-8,11-17,19H2,1H3/b10-9-
InChIKeySFEWMGIPBBLNJX-KTKRTIGZSA-N
XLogP5.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino (Z)-octadec-9-enoate;sulfuric acid
CID 174913688
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
[(Z)-hexadec-9-enyl] tritriacontanoate
CID 168953401
3-[(E)-octadec-9-enoyl]oxypropyl octadec-9-enoate
CID 164511575
propyl octadec-12-enoate
CID 123380222
CID 175771564
CID 175771564
[(Z)-non-2-enyl] decanoate
CID 88564768
octadec-9-enoyl octadec-9-enoate;urea
CID 173452979

Frequently Asked Questions

What is the IUPAC name of amino (Z)-octadec-9-enoate?
The IUPAC name of amino (Z)-octadec-9-enoate (CID 87082504) is amino (Z)-octadec-9-enoate.
What is the SMILES notation for amino (Z)-octadec-9-enoate?
The canonical SMILES for amino (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)ON.
What is the InChIKey of amino (Z)-octadec-9-enoate?
The InChIKey is SFEWMGIPBBLNJX-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)21-19/h9-10H,2-8,11-17,19H2,1H3/b10-9-.
What are the key properties of amino (Z)-octadec-9-enoate?
amino (Z)-octadec-9-enoate has a molecular weight of 297.48 g/mol, XLogP of 5.44, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino (Z)-octadec-9-enoate is sourced from PubChem (CID 87082504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).