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

C16H32O6 — CID 58409057

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
SMILESCOCCOCCOCCOCCOC(=O)CCC(C)(C)C
InChIInChI=1S/C16H32O6/c1-16(2,3)6-5-15(17)22-14-13-21-12-11-20-10-9-19-8-7-18-4/h5-14H2,1-4H3
InChIKeyODPNWDZSLOSCBL-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.05
Rot. Bonds14

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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate (PubChem CID 58409057) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
PubChem CID58409057
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
SMILESCOCCOCCOCCOCCOC(=O)CCC(C)(C)C
InChIInChI=1S/C16H32O6/c1-16(2,3)6-5-15(17)22-14-13-21-12-11-20-10-9-19-8-7-18-4/h5-14H2,1-4H3
InChIKeyODPNWDZSLOSCBL-UHFFFAOYSA-N
XLogP2.05
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.05
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-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
CID 104562890
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
CID 135339214
2,2-dimethylpropyl 5-(2-methoxyethoxy)pentanoate
CID 147908523
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
CID 148869293
4-O-(3,3-dimethylbutyl) 1-O-methyl butanedioate
CID 59121663
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
octadecyl 4,4-dimethylpentanoate
CID 174604601
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
CID 125484596

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate (CID 58409057) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate is COCCOCCOCCOCCOC(=O)CCC(C)(C)C.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
The InChIKey is ODPNWDZSLOSCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6/c1-16(2,3)6-5-15(17)22-14-13-21-12-11-20-10-9-19-8-7-18-4/h5-14H2,1-4H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate has a molecular weight of 320.43 g/mol, XLogP of 2.05, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate is sourced from PubChem (CID 58409057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).