2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate

C20H38O7 — CID 88715072

IUPAC2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(C)C
InChIInChI=1S/C20H38O7/c1-17(2)5-7-19(21)26-15-13-24-11-9-23-10-12-25-14-16-27-20(22)8-6-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyYLSAFDYFZRBTFJ-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.99
Rot. Bonds18

About 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate

2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate (PubChem CID 88715072) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
PubChem CID88715072
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(C)C
InChIInChI=1S/C20H38O7/c1-17(2)5-7-19(21)26-15-13-24-11-9-23-10-12-25-14-16-27-20(22)8-6-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyYLSAFDYFZRBTFJ-UHFFFAOYSA-N
XLogP2.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.99
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

2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141228778
2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141056021
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)acetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyacetyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-methylpentanoate
CID 158993180
15-methylhexadecyl 4-methylpentanoate
CID 175048377
12-methyltridecyl 4-methylpentanoate
CID 175056359
3-hydroxypropyl 4-methylpentanoate
CID 87401837
6-hydroxyhexyl 4-methylpentanoate
CID 87401580
propyl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121470462
2-phenylethyl 4-methylpentanoate
CID 69256004
7-methyloctyl 4-[2-(3-methylbutoxy)ethoxy]butanoate
CID 140909665
bis(3-methylbutyl) tetradecanedioate
CID 87116358

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate?
The IUPAC name of 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate (CID 88715072) is 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate.
What is the SMILES notation for 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate?
The canonical SMILES for 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate is CC(C)CCC(=O)OCCOCCOCCOCCOC(=O)CCC(C)C.
What is the InChIKey of 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate?
The InChIKey is YLSAFDYFZRBTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-17(2)5-7-19(21)26-15-13-24-11-9-23-10-12-25-14-16-27-20(22)8-6-18(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate?
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate has a molecular weight of 390.52 g/mol, XLogP of 2.99, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate is sourced from PubChem (CID 88715072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).