heptyl 2-(2-methoxyethoxy)acetate

C12H24O4 — CID 18318708

IUPACheptyl 2-(2-methoxyethoxy)acetate
SMILESCCCCCCCOC(=O)COCCOC
InChIInChI=1S/C12H24O4/c1-3-4-5-6-7-8-16-12(13)11-15-10-9-14-2/h3-11H2,1-2H3
InChIKeyZBAUAOUYLDZCHO-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.16
Rot. Bonds11

About heptyl 2-(2-methoxyethoxy)acetate

heptyl 2-(2-methoxyethoxy)acetate (PubChem CID 18318708) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is heptyl 2-(2-methoxyethoxy)acetate.

Molecular Properties

Compound Nameheptyl 2-(2-methoxyethoxy)acetate
PubChem CID18318708
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameheptyl 2-(2-methoxyethoxy)acetate
SMILESCCCCCCCOC(=O)COCCOC
InChIInChI=1S/C12H24O4/c1-3-4-5-6-7-8-16-12(13)11-15-10-9-14-2/h3-11H2,1-2H3
InChIKeyZBAUAOUYLDZCHO-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.16
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

butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
CID 163950026
heptyl 3-methoxypropanoate
CID 101326094
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095

Frequently Asked Questions

What is the IUPAC name of heptyl 2-(2-methoxyethoxy)acetate?
The IUPAC name of heptyl 2-(2-methoxyethoxy)acetate (CID 18318708) is heptyl 2-(2-methoxyethoxy)acetate.
What is the SMILES notation for heptyl 2-(2-methoxyethoxy)acetate?
The canonical SMILES for heptyl 2-(2-methoxyethoxy)acetate is CCCCCCCOC(=O)COCCOC.
What is the InChIKey of heptyl 2-(2-methoxyethoxy)acetate?
The InChIKey is ZBAUAOUYLDZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-4-5-6-7-8-16-12(13)11-15-10-9-14-2/h3-11H2,1-2H3.
What are the key properties of heptyl 2-(2-methoxyethoxy)acetate?
heptyl 2-(2-methoxyethoxy)acetate has a molecular weight of 232.32 g/mol, XLogP of 2.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-(2-methoxyethoxy)acetate is sourced from PubChem (CID 18318708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).