(Z)-henicos-10-enoic acid

C21H40O2 — CID 171117696

IUPAC(Z)-henicos-10-enoic acid
SMILESCCCCCCCCCC/C=C\CCCCCCCCC(=O)O
InChIInChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h11-12H,2-10,13-20H2,1H3,(H,22,23)/b12-11-
InChIKeyXXISLNGIGCUKDR-QXMHVHEDSA-N
MW324.55 g/mol
LogP7.28
Rot. Bonds18

About (Z)-henicos-10-enoic acid

(Z)-henicos-10-enoic acid (PubChem CID 171117696) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is (Z)-henicos-10-enoic acid.

Molecular Properties

Compound Name(Z)-henicos-10-enoic acid
PubChem CID171117696
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name(Z)-henicos-10-enoic acid
SMILESCCCCCCCCCC/C=C\CCCCCCCCC(=O)O
InChIInChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h11-12H,2-10,13-20H2,1H3,(H,22,23)/b12-11-
InChIKeyXXISLNGIGCUKDR-QXMHVHEDSA-N
XLogP7.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of (Z)-henicos-10-enoic acid?
The IUPAC name of (Z)-henicos-10-enoic acid (CID 171117696) is (Z)-henicos-10-enoic acid.
What is the SMILES notation for (Z)-henicos-10-enoic acid?
The canonical SMILES for (Z)-henicos-10-enoic acid is CCCCCCCCCC/C=C\CCCCCCCCC(=O)O.
What is the InChIKey of (Z)-henicos-10-enoic acid?
The InChIKey is XXISLNGIGCUKDR-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h11-12H,2-10,13-20H2,1H3,(H,22,23)/b12-11-.
What are the key properties of (Z)-henicos-10-enoic acid?
(Z)-henicos-10-enoic acid has a molecular weight of 324.55 g/mol, XLogP of 7.28, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-henicos-10-enoic acid is sourced from PubChem (CID 171117696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).