2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate

C28H50O7 — CID 118372684

IUPAC2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate
SMILESCC(=O)C(C)(C)CCCC(C)(C)C(=O)OCCOCCOC(=O)C(C)(C)CCCC(C)(C)C(C)=O
InChIInChI=1S/C28H50O7/c1-21(29)25(3,4)13-11-15-27(7,8)23(31)34-19-17-33-18-20-35-24(32)28(9,10)16-12-14-26(5,6)22(2)30/h11-20H2,1-10H3
InChIKeyOITYWBIGGVJOFS-UHFFFAOYSA-N
MW498.70 g/mol
LogP5.71
Rot. Bonds18

About 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate

2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate (PubChem CID 118372684) has the molecular formula C28H50O7 and a molecular weight of 498.70 g/mol. Its IUPAC name is 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate.

Molecular Properties

Compound Name2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate
PubChem CID118372684
Molecular FormulaC28H50O7
Molecular Weight498.70 g/mol
Exact Mass498.36
IUPAC Name2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate
SMILESCC(=O)C(C)(C)CCCC(C)(C)C(=O)OCCOCCOC(=O)C(C)(C)CCCC(C)(C)C(C)=O
InChIInChI=1S/C28H50O7/c1-21(29)25(3,4)13-11-15-27(7,8)23(31)34-19-17-33-18-20-35-24(32)28(9,10)16-12-14-26(5,6)22(2)30/h11-20H2,1-10H3
InChIKeyOITYWBIGGVJOFS-UHFFFAOYSA-N
XLogP5.71
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 55.71
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

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CID 145082384
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
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2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
ethyl 2,2,14,14-tetramethyl-15-oxohexadec-7-ynoate
CID 158421482
propyl 2,2-dimethylhexadecanoate
CID 57107993
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
3-aminopropyl 2,2-dimethylhexanoate
CID 130456484
bis[3-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethyl-3-oxopropyl] hexanedioate
CID 175062622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate?
The IUPAC name of 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate (CID 118372684) is 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate.
What is the SMILES notation for 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate?
The canonical SMILES for 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate is CC(=O)C(C)(C)CCCC(C)(C)C(=O)OCCOCCOC(=O)C(C)(C)CCCC(C)(C)C(C)=O.
What is the InChIKey of 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate?
The InChIKey is OITYWBIGGVJOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O7/c1-21(29)25(3,4)13-11-15-27(7,8)23(31)34-19-17-33-18-20-35-24(32)28(9,10)16-12-14-26(5,6)22(2)30/h11-20H2,1-10H3.
What are the key properties of 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate?
2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate has a molecular weight of 498.70 g/mol, XLogP of 5.71, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate is sourced from PubChem (CID 118372684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).