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

C9H14O2 — CID 5382865

IUPAC(4Z)-cyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1CC/C=C\CCC1
InChIInChI=1S/C9H14O2/c10-9(11)8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,10,11)/b2-1-
InChIKeyKXJSFMMHUAFBLF-UPHRSURJSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds1

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

(4Z)-cyclooct-4-ene-1-carboxylic acid (PubChem CID 5382865) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4Z)-cyclooct-4-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4Z)-cyclooct-4-ene-1-carboxylic acid
PubChem CID5382865
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4Z)-cyclooct-4-ene-1-carboxylic acid
SMILESO=C(O)C1CC/C=C\CCC1
InChIInChI=1S/C9H14O2/c10-9(11)8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,10,11)/b2-1-
InChIKeyKXJSFMMHUAFBLF-UPHRSURJSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Citronellic acid
CID 10402
3-Cyclohexene-1-carboxylic acid
CID 20903
Chaulmoogric Acid
CID 441446
(R)-(+)-citronellic acid
CID 6999957
13-(Cyclopent-2-Enyl)Tridecanoic Acid
CID 72853
2-Cyclopentene-1-tridecanoic acid
CID 12302887
2-Cyclopentene-1-acetic acid
CID 96216
Cyclohept-4-enecarboxylic acid
CID 292754
Bicyclo[3.3.1]non-6-ene-3-carboxylic acid
CID 361989
Alepramic acid
CID 15650101
(S)-(-)-Citronellic acid
CID 6999955
(Z)-14-Methyl-6-pentadecenoic acid
CID 87508980

Frequently Asked Questions

What is the IUPAC name of (4Z)-cyclooct-4-ene-1-carboxylic acid?
The IUPAC name of (4Z)-cyclooct-4-ene-1-carboxylic acid (CID 5382865) is (4Z)-cyclooct-4-ene-1-carboxylic acid.
What is the SMILES notation for (4Z)-cyclooct-4-ene-1-carboxylic acid?
The canonical SMILES for (4Z)-cyclooct-4-ene-1-carboxylic acid is O=C(O)C1CC/C=C\CCC1.
What is the InChIKey of (4Z)-cyclooct-4-ene-1-carboxylic acid?
The InChIKey is KXJSFMMHUAFBLF-UPHRSURJSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(11)8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,10,11)/b2-1-.
What are the key properties of (4Z)-cyclooct-4-ene-1-carboxylic acid?
(4Z)-cyclooct-4-ene-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-cyclooct-4-ene-1-carboxylic acid is sourced from PubChem (CID 5382865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).