6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate

C18H34O5 — CID 88904975

IUPAC6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
SMILESCCC(C)(C)OCCOC(=O)CCCCC(=O)OC(C)(C)CC
InChIInChI=1S/C18H34O5/c1-7-17(3,4)22-14-13-21-15(19)11-9-10-12-16(20)23-18(5,6)8-2/h7-14H2,1-6H3
InChIKeyDRAKNDCIOAKPFX-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.03
Rot. Bonds12

About 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate

6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate (PubChem CID 88904975) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate.

Molecular Properties

Compound Name6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
PubChem CID88904975
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
SMILESCCC(C)(C)OCCOC(=O)CCCCC(=O)OC(C)(C)CC
InChIInChI=1S/C18H34O5/c1-7-17(3,4)22-14-13-21-15(19)11-9-10-12-16(20)23-18(5,6)8-2/h7-14H2,1-6H3
InChIKeyDRAKNDCIOAKPFX-UHFFFAOYSA-N
XLogP4.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate with MolForge

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Related Compounds

4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid
CID 59270037
2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014
4-[3-(2-methylbutan-2-yloxy)-3-oxopropoxy]-4-oxobutanoic acid
CID 20776605
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130
methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate
CID 174484867
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
3-[4-(2-methylbutan-2-yloxy)-4-oxobutyl]peroxypropanoic acid
CID 58954431
(3-methyl-3-propanoyloxybutyl) hexanoate
CID 90907036
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(3-methylpentan-3-yl) hexanedioate
CID 141267007
2-(2-methylbutan-2-yloxy)ethyl 3-[4-(N-[4-[5-[5-[4-(N-[4-[3-(2-methylbutan-2-yloxy)-3-oxopropyl]phenyl]anilino)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]anilino)phenyl]propanoate
CID 88849107

Frequently Asked Questions

What is the IUPAC name of 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate?
The IUPAC name of 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate (CID 88904975) is 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate.
What is the SMILES notation for 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate?
The canonical SMILES for 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate is CCC(C)(C)OCCOC(=O)CCCCC(=O)OC(C)(C)CC.
What is the InChIKey of 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate?
The InChIKey is DRAKNDCIOAKPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-7-17(3,4)22-14-13-21-15(19)11-9-10-12-16(20)23-18(5,6)8-2/h7-14H2,1-6H3.
What are the key properties of 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate?
6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate has a molecular weight of 330.47 g/mol, XLogP of 4.03, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate is sourced from PubChem (CID 88904975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).