2-methoxyethyl 5-methoxypentanoate

C9H18O4 — CID 58454735

IUPAC2-methoxyethyl 5-methoxypentanoate
SMILESCOCCCCC(=O)OCCOC
InChIInChI=1S/C9H18O4/c1-11-6-4-3-5-9(10)13-8-7-12-2/h3-8H2,1-2H3
InChIKeyLTGZHKMZTJYCLT-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds8

About 2-methoxyethyl 5-methoxypentanoate

2-methoxyethyl 5-methoxypentanoate (PubChem CID 58454735) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-methoxyethyl 5-methoxypentanoate.

Molecular Properties

Compound Name2-methoxyethyl 5-methoxypentanoate
PubChem CID58454735
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-methoxyethyl 5-methoxypentanoate
SMILESCOCCCCC(=O)OCCOC
InChIInChI=1S/C9H18O4/c1-11-6-4-3-5-9(10)13-8-7-12-2/h3-8H2,1-2H3
InChIKeyLTGZHKMZTJYCLT-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-methoxypentanoate
CID 21476247
butyl 8-methoxyoctanoate
CID 155647547
2-methoxyethyl 18-acetyloxyoctadecanoate
CID 22678997
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
heptyl 6-methoxyhexanoate
CID 134561585
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
2-methoxyethyl octanoate
CID 14009347
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
4-methoxybutyl 5-oxohexanoate
CID 162425985
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
CID 158841487
2-methylpropyl 5-methoxypentanoate
CID 134561762
bis(2-methoxyethyl) octadec-9-enedioate
CID 123139794

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-methoxypentanoate?
The IUPAC name of 2-methoxyethyl 5-methoxypentanoate (CID 58454735) is 2-methoxyethyl 5-methoxypentanoate.
What is the SMILES notation for 2-methoxyethyl 5-methoxypentanoate?
The canonical SMILES for 2-methoxyethyl 5-methoxypentanoate is COCCCCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 5-methoxypentanoate?
The InChIKey is LTGZHKMZTJYCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-11-6-4-3-5-9(10)13-8-7-12-2/h3-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 5-methoxypentanoate?
2-methoxyethyl 5-methoxypentanoate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-methoxypentanoate is sourced from PubChem (CID 58454735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).