2-(methoxymethyl)non-8-enoic acid

C11H20O3 — CID 90389869

IUPAC2-(methoxymethyl)non-8-enoic acid
SMILESC=CCCCCCC(COC)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(9-14-2)11(12)13/h3,10H,1,4-9H2,2H3,(H,12,13)
InChIKeyRQXGVLVYBSPPQM-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds9

About 2-(methoxymethyl)non-8-enoic acid

2-(methoxymethyl)non-8-enoic acid (PubChem CID 90389869) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(methoxymethyl)non-8-enoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)non-8-enoic acid
PubChem CID90389869
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(methoxymethyl)non-8-enoic acid
SMILESC=CCCCCCC(COC)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(9-14-2)11(12)13/h3,10H,1,4-9H2,2H3,(H,12,13)
InChIKeyRQXGVLVYBSPPQM-UHFFFAOYSA-N
XLogP2.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.47
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

2-(methoxymethyl)hex-5-enoic acid
CID 146545630
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
2-pentyldec-9-enoic acid
CID 175975601
2-prop-2-enyldodec-11-enoic acid
CID 88827199
2-prop-2-enyldec-9-enoic acid
CID 90413259
2-(2-methoxyethoxymethyl)hex-5-enoic acid
CID 146545339
2-oct-7-enylpentanedioic acid
CID 45359271
2-methylpropyl 2-oct-7-enyldec-9-enoate
CID 177270214
(2S)-2-amino-4-dec-9-enylpentanedioic acid
CID 18396854
(2R)-2-methylnon-8-enoic acid
CID 129385535
sodium;2-hex-5-enylhexanedioic acid;hydride
CID 175176644
sodium 3-carboxynon-8-enoate
CID 102118555

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)non-8-enoic acid?
The IUPAC name of 2-(methoxymethyl)non-8-enoic acid (CID 90389869) is 2-(methoxymethyl)non-8-enoic acid.
What is the SMILES notation for 2-(methoxymethyl)non-8-enoic acid?
The canonical SMILES for 2-(methoxymethyl)non-8-enoic acid is C=CCCCCCC(COC)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)non-8-enoic acid?
The InChIKey is RQXGVLVYBSPPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(9-14-2)11(12)13/h3,10H,1,4-9H2,2H3,(H,12,13).
What are the key properties of 2-(methoxymethyl)non-8-enoic acid?
2-(methoxymethyl)non-8-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)non-8-enoic acid is sourced from PubChem (CID 90389869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).