2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate

C20H38O6 — CID 90137650

IUPAC2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
SMILESCC(C)(C)CCC(=O)OCCOCCOCCOC(=O)CCC(C)(C)C
InChIInChI=1S/C20H38O6/c1-19(2,3)9-7-17(21)25-15-13-23-11-12-24-14-16-26-18(22)8-10-20(4,5)6/h7-16H2,1-6H3
InChIKeyYQOTYRHTZNQVPN-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.76
Rot. Bonds13

About 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate

2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate (PubChem CID 90137650) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate.

Molecular Properties

Compound Name2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
PubChem CID90137650
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Name2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
SMILESCC(C)(C)CCC(=O)OCCOCCOCCOC(=O)CCC(C)(C)C
InChIInChI=1S/C20H38O6/c1-19(2,3)9-7-17(21)25-15-13-23-11-12-24-14-16-26-18(22)8-10-20(4,5)6/h7-16H2,1-6H3
InChIKeyYQOTYRHTZNQVPN-UHFFFAOYSA-N
XLogP3.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
CID 148869293
octadecyl 4,4-dimethylpentanoate
CID 174604601
2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
CID 104562890
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2,2,2-trichloroethyl 4,4-dimethylpentanoate
CID 58459608
4-O-(3,3-dimethylbutyl) 1-O-methyl butanedioate
CID 59121663
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025
6-O-[2-(2,2-dimethylpropoxy)ethyl] 1-O-(4-hydroxybutyl) hexanedioate
CID 175013288
[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
CID 159685378
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
The IUPAC name of 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate (CID 90137650) is 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate.
What is the SMILES notation for 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
The canonical SMILES for 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate is CC(C)(C)CCC(=O)OCCOCCOCCOC(=O)CCC(C)(C)C.
What is the InChIKey of 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
The InChIKey is YQOTYRHTZNQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-19(2,3)9-7-17(21)25-15-13-23-11-12-24-14-16-26-18(22)8-10-20(4,5)6/h7-16H2,1-6H3.
What are the key properties of 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate has a molecular weight of 374.52 g/mol, XLogP of 3.76, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate is sourced from PubChem (CID 90137650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).