(Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid

C22H34O3 — CID 135015765

IUPAC(Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid
SMILESCCCCC/C=C\C/C=C\C=C1O[C@@H]1C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-11-14-17-20-21(25-20)18-15-12-9-10-13-16-19-22(23)24/h6-7,11-12,14-15,17,21H,2-5,8-10,13,16,18-19H2,1H3,(H,23,24)/b7-6-,14-11-,15-12-,20-17?/t21-/m1/s1
InChIKeyCFQUPPAJWXQAMY-SWORGPSWSA-N
MW346.51 g/mol
LogP6.33
Rot. Bonds15

About (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid

(Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid (PubChem CID 135015765) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid.

Molecular Properties

Compound Name(Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid
PubChem CID135015765
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name(Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid
SMILESCCCCC/C=C\C/C=C\C=C1O[C@@H]1C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-11-14-17-20-21(25-20)18-15-12-9-10-13-16-19-22(23)24/h6-7,11-12,14-15,17,21H,2-5,8-10,13,16,18-19H2,1H3,(H,23,24)/b7-6-,14-11-,15-12-,20-17?/t21-/m1/s1
InChIKeyCFQUPPAJWXQAMY-SWORGPSWSA-N
XLogP6.33
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(Z,11E)-11-[(3S)-3-[(E)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid
CID 21158459
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576
(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
CID 100915198
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
CID 52921820
octacosa-10,13,16-trienoic acid
CID 169277248
heptacosa-14,17-dienoic acid
CID 169276989
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516

Frequently Asked Questions

What is the IUPAC name of (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid?
The IUPAC name of (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid (CID 135015765) is (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid.
What is the SMILES notation for (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid?
The canonical SMILES for (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid is CCCCC/C=C\C/C=C\C=C1O[C@@H]1C/C=C\CCCCCC(=O)O.
What is the InChIKey of (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid?
The InChIKey is CFQUPPAJWXQAMY-SWORGPSWSA-N. The full InChI is InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-11-14-17-20-21(25-20)18-15-12-9-10-13-16-19-22(23)24/h6-7,11-12,14-15,17,21H,2-5,8-10,13,16,18-19H2,1H3,(H,23,24)/b7-6-,14-11-,15-12-,20-17?/t21-/m1/s1.
What are the key properties of (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid?
(Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid has a molecular weight of 346.51 g/mol, XLogP of 6.33, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-[(2R)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]non-7-enoic acid is sourced from PubChem (CID 135015765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).