5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid

C16H24O3 — CID 20579761

IUPAC5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid
SMILESCC(O)C#C/C=C/CCC1CC1CCCCC(=O)O
InChIInChI=1S/C16H24O3/c1-13(17)8-4-2-3-5-9-14-12-15(14)10-6-7-11-16(18)19/h2-3,13-15,17H,5-7,9-12H2,1H3,(H,18,19)/b3-2+
InChIKeyDQMSZAYMZBFLJC-NSCUHMNNSA-N
MW264.36 g/mol
LogP2.99
Rot. Bonds8

About 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid

5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid (PubChem CID 20579761) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid
PubChem CID20579761
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid
SMILESCC(O)C#C/C=C/CCC1CC1CCCCC(=O)O
InChIInChI=1S/C16H24O3/c1-13(17)8-4-2-3-5-9-14-12-15(14)10-6-7-11-16(18)19/h2-3,13-15,17H,5-7,9-12H2,1H3,(H,18,19)/b3-2+
InChIKeyDQMSZAYMZBFLJC-NSCUHMNNSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R,2S)-2-[(Z)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]butanoic acid
CID 59055467
5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
CID 23523133
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
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
(E,12R)-12-hydroxyheptadec-8-en-10-ynoic acid
CID 125496148
(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
CID 20579782
ethane-1,1-diol;hexanedioic acid
CID 160553867
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
16-hydroxyheptadeca-10,12,14-triynoic acid
CID 24740384
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid?
The IUPAC name of 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid (CID 20579761) is 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid.
What is the SMILES notation for 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid?
The canonical SMILES for 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid is CC(O)C#C/C=C/CCC1CC1CCCCC(=O)O.
What is the InChIKey of 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid?
The InChIKey is DQMSZAYMZBFLJC-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H24O3/c1-13(17)8-4-2-3-5-9-14-12-15(14)10-6-7-11-16(18)19/h2-3,13-15,17H,5-7,9-12H2,1H3,(H,18,19)/b3-2+.
What are the key properties of 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid?
5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid has a molecular weight of 264.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid is sourced from PubChem (CID 20579761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).