butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate

C16H30O7 — CID 18318669

IUPACbutyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
SMILESCCCCOC(=O)COCCOCCOCC(=O)OCCCC
InChIInChI=1S/C16H30O7/c1-3-5-7-22-15(17)13-20-11-9-19-10-12-21-14-16(18)23-8-6-4-2/h3-14H2,1-2H3
InChIKeyJTXSGRWUSWJZCD-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.72
Rot. Bonds16

About butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate

butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate (PubChem CID 18318669) has the molecular formula C16H30O7 and a molecular weight of 334.41 g/mol. Its IUPAC name is butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namebutyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
PubChem CID18318669
Molecular FormulaC16H30O7
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Namebutyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
SMILESCCCCOC(=O)COCCOCCOCC(=O)OCCCC
InChIInChI=1S/C16H30O7/c1-3-5-7-22-15(17)13-20-11-9-19-10-12-21-14-16(18)23-8-6-4-2/h3-14H2,1-2H3
InChIKeyJTXSGRWUSWJZCD-UHFFFAOYSA-N
XLogP1.72
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(2-propoxyethoxy)acetate
CID 63684669
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
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
ethyl 2-butoxyacetate
CID 14419651
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate (CID 18318669) is butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate is CCCCOC(=O)COCCOCCOCC(=O)OCCCC.
What is the InChIKey of butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate?
The InChIKey is JTXSGRWUSWJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O7/c1-3-5-7-22-15(17)13-20-11-9-19-10-12-21-14-16(18)23-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate?
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate has a molecular weight of 334.41 g/mol, XLogP of 1.72, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 18318669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).