(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid

C9H14O3 — CID 121291315

IUPAC(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1CC/C=C\C(O)CC1
InChIInChI=1S/C9H14O3/c10-8-4-2-1-3-7(5-6-8)9(11)12/h2,4,7-8,10H,1,3,5-6H2,(H,11,12)/b4-2-
InChIKeyZVKXEWMIQOICDC-RQOWECAXSA-N
MW170.21 g/mol
LogP1.18
Rot. Bonds1

About (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid

(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid (PubChem CID 121291315) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid
PubChem CID121291315
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1CC/C=C\C(O)CC1
InChIInChI=1S/C9H14O3/c10-8-4-2-1-3-7(5-6-8)9(11)12/h2,4,7-8,10H,1,3,5-6H2,(H,11,12)/b4-2-
InChIKeyZVKXEWMIQOICDC-RQOWECAXSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
CID 166706819
(1S)-cyclopent-2-en-1-ol
CID 11789128
cyclohexane-1,4-dicarboxylic acid;cyclohex-3-ene-1,2-dicarboxylic acid
CID 67203906
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
cyclopentanecarboxylic acid
CID 18840
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid?
The IUPAC name of (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid (CID 121291315) is (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid.
What is the SMILES notation for (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid?
The canonical SMILES for (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid is O=C(O)C1CC/C=C\C(O)CC1.
What is the InChIKey of (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid?
The InChIKey is ZVKXEWMIQOICDC-RQOWECAXSA-N. The full InChI is InChI=1S/C9H14O3/c10-8-4-2-1-3-7(5-6-8)9(11)12/h2,4,7-8,10H,1,3,5-6H2,(H,11,12)/b4-2-.
What are the key properties of (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid?
(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid is sourced from PubChem (CID 121291315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).