methyl 2-methoxyoctanoate

C10H20O3 — CID 14952079

IUPACmethyl 2-methoxyoctanoate
SMILESCCCCCCC(OC)C(=O)OC
InChIInChI=1S/C10H20O3/c1-4-5-6-7-8-9(12-2)10(11)13-3/h9H,4-8H2,1-3H3
InChIKeyGOSKKPRIJXTJAA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds7

About methyl 2-methoxyoctanoate

methyl 2-methoxyoctanoate (PubChem CID 14952079) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 2-methoxyoctanoate.

Molecular Properties

Compound Namemethyl 2-methoxyoctanoate
PubChem CID14952079
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 2-methoxyoctanoate
SMILESCCCCCCC(OC)C(=O)OC
InChIInChI=1S/C10H20O3/c1-4-5-6-7-8-9(12-2)10(11)13-3/h9H,4-8H2,1-3H3
InChIKeyGOSKKPRIJXTJAA-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyoctanoate?
The IUPAC name of methyl 2-methoxyoctanoate (CID 14952079) is methyl 2-methoxyoctanoate.
What is the SMILES notation for methyl 2-methoxyoctanoate?
The canonical SMILES for methyl 2-methoxyoctanoate is CCCCCCC(OC)C(=O)OC.
What is the InChIKey of methyl 2-methoxyoctanoate?
The InChIKey is GOSKKPRIJXTJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-6-7-8-9(12-2)10(11)13-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-methoxyoctanoate?
methyl 2-methoxyoctanoate has a molecular weight of 188.27 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyoctanoate is sourced from PubChem (CID 14952079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).