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

C9H14O3 — CID 155414778

IUPAC(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1(O)CC/C=C\CCC1
InChIInChI=1S/C9H14O3/c10-8(11)9(12)6-4-2-1-3-5-7-9/h1-2,12H,3-7H2,(H,10,11)/b2-1-
InChIKeyODAKVVOKRKDCGE-UPHRSURJSA-N
MW170.21 g/mol
LogP1.32
Rot. Bonds1

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

(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid (PubChem CID 155414778) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid
PubChem CID155414778
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1(O)CC/C=C\CCC1
InChIInChI=1S/C9H14O3/c10-8(11)9(12)6-4-2-1-3-5-7-9/h1-2,12H,3-7H2,(H,10,11)/b2-1-
InChIKeyODAKVVOKRKDCGE-UPHRSURJSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;cyclooctene
CID 161186055
(5E)-bicyclo[8.8.8]hexacos-5-ene-1,10-diol
CID 177483439
(1S)-1-[(1S)-1-carboxycyclohex-3-en-1-yl]cyclohex-3-ene-1-carboxylic acid
CID 175074133
spiro[4.7]dodec-9-ene
CID 173457967
acetic acid;cyclohexene
CID 20501047
(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid
CID 159876089
1-hydroxy-3-oxocyclohexane-1-carboxylic acid
CID 85203947
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
4-tert-butyl-1-hydroxycycloheptane-1-carboxylic acid
CID 65095145
1-hydroxy-4-methylidenecyclohexane-1-carboxylic acid
CID 123202802
cyclohexene carbonate
CID 22338323

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid?
The IUPAC name of (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid (CID 155414778) is (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid.
What is the SMILES notation for (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid?
The canonical SMILES for (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid is O=C(O)C1(O)CC/C=C\CCC1.
What is the InChIKey of (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid?
The InChIKey is ODAKVVOKRKDCGE-UPHRSURJSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)9(12)6-4-2-1-3-5-7-9/h1-2,12H,3-7H2,(H,10,11)/b2-1-.
What are the key properties of (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid?
(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid is sourced from PubChem (CID 155414778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).