methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate

C14H22O6 — CID 25053429

IUPACmethyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate
SMILESCOC(=O)CC(=O)CCC(=O)CCOC1CCCCO1
InChIInChI=1S/C14H22O6/c1-18-13(17)10-12(16)6-5-11(15)7-9-20-14-4-2-3-8-19-14/h14H,2-10H2,1H3
InChIKeyYZPDAWCLTNUAGB-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.40
Rot. Bonds9

About methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate

methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate (PubChem CID 25053429) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate.

Molecular Properties

Compound Namemethyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate
PubChem CID25053429
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Namemethyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate
SMILESCOC(=O)CC(=O)CCC(=O)CCOC1CCCCO1
InChIInChI=1S/C14H22O6/c1-18-13(17)10-12(16)6-5-11(15)7-9-20-14-4-2-3-8-19-14/h14H,2-10H2,1H3
InChIKeyYZPDAWCLTNUAGB-UHFFFAOYSA-N
XLogP1.40
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(oxan-2-yloxy)ethyl propaneperoxoate
CID 91031112
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-(2-methylsulfinylethoxy)oxane
CID 139397304
trimethyl-[(E)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane
CID 6370276
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022

Frequently Asked Questions

What is the IUPAC name of methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate?
The IUPAC name of methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate (CID 25053429) is methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate.
What is the SMILES notation for methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate?
The canonical SMILES for methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate is COC(=O)CC(=O)CCC(=O)CCOC1CCCCO1.
What is the InChIKey of methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate?
The InChIKey is YZPDAWCLTNUAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-18-13(17)10-12(16)6-5-11(15)7-9-20-14-4-2-3-8-19-14/h14H,2-10H2,1H3.
What are the key properties of methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate?
methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate has a molecular weight of 286.32 g/mol, XLogP of 1.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate is sourced from PubChem (CID 25053429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).