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

C20H32O3 — CID 23523133

IUPAC5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
SMILESCCCCCC(O)C#C/C=C/CCC1CC1CCCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-6-13-19(21)14-8-5-4-7-11-17-16-18(17)12-9-10-15-20(22)23/h4-5,17-19,21H,2-3,6-7,9-13,15-16H2,1H3,(H,22,23)/b5-4+
InChIKeyPVGYVCADKOPAAP-SNAWJCMRSA-N
MW320.47 g/mol
LogP4.55
Rot. Bonds12

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

5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid (PubChem CID 23523133) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid.

Molecular Properties

Compound Name5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
PubChem CID23523133
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid
SMILESCCCCCC(O)C#C/C=C/CCC1CC1CCCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-6-13-19(21)14-8-5-4-7-11-17-16-18(17)12-9-10-15-20(22)23/h4-5,17-19,21H,2-3,6-7,9-13,15-16H2,1H3,(H,22,23)/b5-4+
InChIKeyPVGYVCADKOPAAP-SNAWJCMRSA-N
XLogP4.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.55
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

5-[2-[(E)-7-hydroxyoct-3-en-5-ynyl]cyclopropyl]pentanoic acid
CID 20579761
(E,12R)-12-hydroxyheptadec-8-en-10-ynoic acid
CID 125496148
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
(9E,15E)-icosa-9,15-dien-7-yn-6-ol
CID 23523148
(6S,7E,9Z)-12-[(1R,2R)-2-pentylcyclopropyl]dodeca-7,9-dien-6-ol
CID 59125700
(6R,7E,9Z)-12-[(1S,2R)-2-pentylcyclopropyl]dodeca-7,9-dien-6-ol
CID 59125701
methyl (Z)-8-[(1S,2R)-2-[(4R)-4-hydroxynon-2-ynyl]cyclopropyl]oct-5-enoate;methyl (Z)-8-[(1S,2R)-2-[(4S)-4-hydroxynon-2-ynyl]cyclopropyl]oct-5-enoate
CID 159110649
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
9-hydroxy-11-(3-pentyloxiran-2-yl)undec-10-ynoic acid
CID 156679802
(6E,10E,12E)-15-hydroxyicosa-6,10,12-trien-8-ynoic acid
CID 170371488
10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
CID 72752348

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid?
The IUPAC name of 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid (CID 23523133) is 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid.
What is the SMILES notation for 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid?
The canonical SMILES for 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid is CCCCCC(O)C#C/C=C/CCC1CC1CCCCC(=O)O.
What is the InChIKey of 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid?
The InChIKey is PVGYVCADKOPAAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-6-13-19(21)14-8-5-4-7-11-17-16-18(17)12-9-10-15-20(22)23/h4-5,17-19,21H,2-3,6-7,9-13,15-16H2,1H3,(H,22,23)/b5-4+.
What are the key properties of 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid?
5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid has a molecular weight of 320.47 g/mol, XLogP of 4.55, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-7-hydroxydodec-3-en-5-ynyl]cyclopropyl]pentanoic acid is sourced from PubChem (CID 23523133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).