(E)-2-methoxynon-3-enoic acid

C10H18O3 — CID 102146864

IUPAC(E)-2-methoxynon-3-enoic acid
SMILESCCCCC/C=C/C(OC)C(=O)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(13-2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/b8-7+
InChIKeyGPSMUPUWKYHPTF-BQYQJAHWSA-N
MW186.25 g/mol
LogP2.22
Rot. Bonds7

About (E)-2-methoxynon-3-enoic acid

(E)-2-methoxynon-3-enoic acid (PubChem CID 102146864) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-2-methoxynon-3-enoic acid.

Molecular Properties

Compound Name(E)-2-methoxynon-3-enoic acid
PubChem CID102146864
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-2-methoxynon-3-enoic acid
SMILESCCCCC/C=C/C(OC)C(=O)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(13-2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/b8-7+
InChIKeyGPSMUPUWKYHPTF-BQYQJAHWSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-oct-2-enyl] 2-hydroxybutanoate
CID 71450082
[(E)-oct-2-enyl] (2S)-2-hydroxybutanoate
CID 71457231
[(Z)-oct-2-enyl] 2-hydroxybutanoate
CID 71457232
(E)-hex-2-enyl lactate
CID 6366079
trans-2-Hexenyl lactate
CID 3020789
Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
CID 44149409
5-Methyl-2,5-dihydrofuran-2-carboxylic acid
CID 12634720
trans-5-Methyl-2,5-dihydro-2-furoic acid
CID 96005265
Methoxytetradec-4-enoic acid
CID 129731530
methyl (2S,6S)-2-ethyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10511355
5-Ethyl-2,5-dihydrofuran-2-carboxylic acid
CID 12634721
(E)-2-prop-2-enoxynon-3-enoic acid
CID 102146865

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxynon-3-enoic acid?
The IUPAC name of (E)-2-methoxynon-3-enoic acid (CID 102146864) is (E)-2-methoxynon-3-enoic acid.
What is the SMILES notation for (E)-2-methoxynon-3-enoic acid?
The canonical SMILES for (E)-2-methoxynon-3-enoic acid is CCCCC/C=C/C(OC)C(=O)O.
What is the InChIKey of (E)-2-methoxynon-3-enoic acid?
The InChIKey is GPSMUPUWKYHPTF-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(13-2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/b8-7+.
What are the key properties of (E)-2-methoxynon-3-enoic acid?
(E)-2-methoxynon-3-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxynon-3-enoic acid is sourced from PubChem (CID 102146864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).