3-methoxynonanoic acid

C10H20O3 — CID 139673009

IUPAC3-methoxynonanoic acid
SMILESCCCCCCC(CC(=O)O)OC
InChIInChI=1S/C10H20O3/c1-3-4-5-6-7-9(13-2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyJKKFPXXZXSPWMW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.45
Rot. Bonds8

About 3-methoxynonanoic acid

3-methoxynonanoic acid (PubChem CID 139673009) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methoxynonanoic acid.

Molecular Properties

Compound Name3-methoxynonanoic acid
PubChem CID139673009
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methoxynonanoic acid
SMILESCCCCCCC(CC(=O)O)OC
InChIInChI=1S/C10H20O3/c1-3-4-5-6-7-9(13-2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyJKKFPXXZXSPWMW-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxyundecan-2-one
CID 14005013
4-methoxydodecanoic acid
CID 141170784
13-methoxyhenicosanoic acid
CID 15389271
6,9,12-trimethoxyoctadecanoic acid
CID 22371562
(3R)-3-acetyloxynonanoic acid
CID 54016264
3-prop-2-enoyloxypentadecanoic acid
CID 57233107
3-nonanoyloxydodecanoic acid
CID 171117444
7,9,13-trimethoxyoctadecanoic acid
CID 22371558
3-pentadecanoyloxydodecanoic acid
CID 171117414
3-icosanoyloxynonanoic acid
CID 171117466
3-tridecanoyloxyundecanoic acid
CID 171117589
3-tetradecanoyloxydodecanoic acid
CID 171117412

Frequently Asked Questions

What is the IUPAC name of 3-methoxynonanoic acid?
The IUPAC name of 3-methoxynonanoic acid (CID 139673009) is 3-methoxynonanoic acid.
What is the SMILES notation for 3-methoxynonanoic acid?
The canonical SMILES for 3-methoxynonanoic acid is CCCCCCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxynonanoic acid?
The InChIKey is JKKFPXXZXSPWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-6-7-9(13-2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxynonanoic acid?
3-methoxynonanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxynonanoic acid is sourced from PubChem (CID 139673009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).