(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid

C10H16O3 — CID 166706819

IUPAC(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1CC/C=C\C(CO)CC1
InChIInChI=1S/C10H16O3/c11-7-8-3-1-2-4-9(6-5-8)10(12)13/h1,3,8-9,11H,2,4-7H2,(H,12,13)/b3-1-
InChIKeyJOHZEXGPRAMTBF-IWQZZHSRSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds2

About (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid

(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid (PubChem CID 166706819) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
PubChem CID166706819
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1CC/C=C\C(CO)CC1
InChIInChI=1S/C10H16O3/c11-7-8-3-1-2-4-9(6-5-8)10(12)13/h1,3,8-9,11H,2,4-7H2,(H,12,13)/b3-1-
InChIKeyJOHZEXGPRAMTBF-IWQZZHSRSA-N
XLogP1.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.43
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

butanedioic acid;cyclopent-2-en-1-ylmethanol
CID 157480041
(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid
CID 121291315
cyclohexane-1,4-dicarboxylic acid;cyclohex-3-ene-1,2-dicarboxylic acid
CID 67203906
cyclohex-2-en-1-ylmethanol;phosphoric acid
CID 174366936
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
2-cyclohex-2-en-1-yl-1-cyclopentylethanone
CID 114620361
(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
CID 79034852
cyclopentanecarboxylic acid
CID 18840
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid?
The IUPAC name of (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid (CID 166706819) is (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid.
What is the SMILES notation for (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid?
The canonical SMILES for (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid is O=C(O)C1CC/C=C\C(CO)CC1.
What is the InChIKey of (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid?
The InChIKey is JOHZEXGPRAMTBF-IWQZZHSRSA-N. The full InChI is InChI=1S/C10H16O3/c11-7-8-3-1-2-4-9(6-5-8)10(12)13/h1,3,8-9,11H,2,4-7H2,(H,12,13)/b3-1-.
What are the key properties of (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid?
(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid is sourced from PubChem (CID 166706819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).