(Z)-3-hex-5-enyldodec-5-enoic acid

C18H32O2 — CID 88654309

IUPAC(Z)-3-hex-5-enyldodec-5-enoic acid
SMILESC=CCCCCC(C/C=C\CCCCCC)CC(=O)O
InChIInChI=1S/C18H32O2/c1-3-5-7-9-10-11-13-15-17(16-18(19)20)14-12-8-6-4-2/h4,11,13,17H,2-3,5-10,12,14-16H2,1H3,(H,19,20)/b13-11-
InChIKeyABOXVKYCQPFBRR-QBFSEMIESA-N
MW280.45 g/mol
LogP5.74
Rot. Bonds14

About (Z)-3-hex-5-enyldodec-5-enoic acid

(Z)-3-hex-5-enyldodec-5-enoic acid (PubChem CID 88654309) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (Z)-3-hex-5-enyldodec-5-enoic acid.

Molecular Properties

Compound Name(Z)-3-hex-5-enyldodec-5-enoic acid
PubChem CID88654309
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(Z)-3-hex-5-enyldodec-5-enoic acid
SMILESC=CCCCCC(C/C=C\CCCCCC)CC(=O)O
InChIInChI=1S/C18H32O2/c1-3-5-7-9-10-11-13-15-17(16-18(19)20)14-12-8-6-4-2/h4,11,13,17H,2-3,5-10,12,14-16H2,1H3,(H,19,20)/b13-11-
InChIKeyABOXVKYCQPFBRR-QBFSEMIESA-N
XLogP5.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.74
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

3-pentyltrideca-10,12-dienoic acid
CID 173172715
3-hexyldodeca-9,11-dienoic acid
CID 175194896
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
3-heptylpentanedioic acid
CID 14574131
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
3-tetradecyloctadecanoic acid
CID 18954670
26-heptadecylnonapentacont-1-ene
CID 123445046
3-[(3Z)-hexa-3,5-dienyl]decanoic acid
CID 87988632
3-hydroxytetradec-5-enoic acid
CID 73443469
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hex-5-enyldodec-5-enoic acid?
The IUPAC name of (Z)-3-hex-5-enyldodec-5-enoic acid (CID 88654309) is (Z)-3-hex-5-enyldodec-5-enoic acid.
What is the SMILES notation for (Z)-3-hex-5-enyldodec-5-enoic acid?
The canonical SMILES for (Z)-3-hex-5-enyldodec-5-enoic acid is C=CCCCCC(C/C=C\CCCCCC)CC(=O)O.
What is the InChIKey of (Z)-3-hex-5-enyldodec-5-enoic acid?
The InChIKey is ABOXVKYCQPFBRR-QBFSEMIESA-N. The full InChI is InChI=1S/C18H32O2/c1-3-5-7-9-10-11-13-15-17(16-18(19)20)14-12-8-6-4-2/h4,11,13,17H,2-3,5-10,12,14-16H2,1H3,(H,19,20)/b13-11-.
What are the key properties of (Z)-3-hex-5-enyldodec-5-enoic acid?
(Z)-3-hex-5-enyldodec-5-enoic acid has a molecular weight of 280.45 g/mol, XLogP of 5.74, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hex-5-enyldodec-5-enoic acid is sourced from PubChem (CID 88654309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).