(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid

C17H26O3 — CID 20579782

IUPAC(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
SMILESCC(O)/C=C/C=C/CC1CC1C/C=C/CCCC(=O)O
InChIInChI=1S/C17H26O3/c1-14(18)9-5-4-7-11-16-13-15(16)10-6-2-3-8-12-17(19)20/h2,4-7,9,14-16,18H,3,8,10-13H2,1H3,(H,19,20)/b6-2+,7-4+,9-5+
InChIKeyGLNZEIUWPXXAGS-SXCJESDKSA-N
MW278.39 g/mol
LogP3.71
Rot. Bonds10

About (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid

(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid (PubChem CID 20579782) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
PubChem CID20579782
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
SMILESCC(O)/C=C/C=C/CC1CC1C/C=C/CCCC(=O)O
InChIInChI=1S/C17H26O3/c1-14(18)9-5-4-7-11-16-13-15(16)10-6-2-3-8-12-17(19)20/h2,4-7,9,14-16,18H,3,8,10-13H2,1H3,(H,19,20)/b6-2+,7-4+,9-5+
InChIKeyGLNZEIUWPXXAGS-SXCJESDKSA-N
XLogP3.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
CID 20579712
(Z)-7-[(2Z,4E)-6-hydroxyhepta-2,4-dienyl]sulfanylhept-5-enoic acid
CID 59977211
(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
CID 12988295
(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
CID 118934373
(E)-7-[(1R,2S,3R,4R)-3-[(1S)-1-hydroxyethyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70360504
5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver
CID 160827405
5-[(1R,2R)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2R)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1R,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver
CID 160827406
8-methylnon-5-enoic acid
CID 73188771
(2S,3E,5Z)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(2R,3E,5Z)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(2S,3E,5Z)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(2R,3E,5Z)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hepta-3,5-dien-2-ol;(Z,2S)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(Z,2R)-7-[(1S,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(Z,2S)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(Z,2R)-7-[(1R,2S)-2-[(Z)-hept-2-enyl]cyclopropyl]hept-5-en-3-yn-2-ol;(2S,3E,11Z)-hexadeca-3,11-dien-5-yn-2-ol;(2S,5Z,11Z)-hexadeca-5,11-dien-3-yn-2-ol;(2S,3E,5Z,11Z)-hexadeca-3,5,11-trien-2-ol
CID 158258174
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 6443315
(2E,4E,9E,11E,13S)-13-hydroxytetradeca-2,4,9,11-tetraenoic acid
CID 12988297

Frequently Asked Questions

What is the IUPAC name of (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid?
The IUPAC name of (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid (CID 20579782) is (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid.
What is the SMILES notation for (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid?
The canonical SMILES for (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid is CC(O)/C=C/C=C/CC1CC1C/C=C/CCCC(=O)O.
What is the InChIKey of (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid?
The InChIKey is GLNZEIUWPXXAGS-SXCJESDKSA-N. The full InChI is InChI=1S/C17H26O3/c1-14(18)9-5-4-7-11-16-13-15(16)10-6-2-3-8-12-17(19)20/h2,4-7,9,14-16,18H,3,8,10-13H2,1H3,(H,19,20)/b6-2+,7-4+,9-5+.
What are the key properties of (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid?
(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid has a molecular weight of 278.39 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid is sourced from PubChem (CID 20579782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).