(Z)-oct-2-enoic acid

C8H14O2 — CID 5282713

IUPAC(Z)-oct-2-enoic acid
SMILESCCCCC/C=C\C(=O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
InChIKeyCWMPPVPFLSZGCY-SREVYHEPSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds5

About (Z)-oct-2-enoic acid

(Z)-oct-2-enoic acid (PubChem CID 5282713) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-oct-2-enoic acid.

Molecular Properties

Compound Name(Z)-oct-2-enoic acid
PubChem CID5282713
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(Z)-oct-2-enoic acid
SMILESCCCCC/C=C\C(=O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
InChIKeyCWMPPVPFLSZGCY-SREVYHEPSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-oct-2-enoic acid;zirconium
CID 89456417
undec-2-enoic acid
CID 519180
iron;(E)-oct-2-enoic acid
CID 89456364
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
copper;heptadec-2-enoic acid
CID 174878538
CID 158204021
CID 158204021
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459

Frequently Asked Questions

What is the IUPAC name of (Z)-oct-2-enoic acid?
The IUPAC name of (Z)-oct-2-enoic acid (CID 5282713) is (Z)-oct-2-enoic acid.
What is the SMILES notation for (Z)-oct-2-enoic acid?
The canonical SMILES for (Z)-oct-2-enoic acid is CCCCC/C=C\C(=O)O.
What is the InChIKey of (Z)-oct-2-enoic acid?
The InChIKey is CWMPPVPFLSZGCY-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-.
What are the key properties of (Z)-oct-2-enoic acid?
(Z)-oct-2-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-2-enoic acid is sourced from PubChem (CID 5282713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).