methane;1-methoxyethyl 5-oxohexanoate

C11H24O4 — CID 159759084

IUPACmethane;1-methoxyethyl 5-oxohexanoate
SMILESC.C.COC(C)OC(=O)CCCC(C)=O
InChIInChI=1S/C9H16O4.2CH4/c1-7(10)5-4-6-9(11)13-8(2)12-3;;/h8H,4-6H2,1-3H3;2*1H4
InChIKeyNEQJXZJJRFJPPO-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.55
Rot. Bonds6

About methane;1-methoxyethyl 5-oxohexanoate

methane;1-methoxyethyl 5-oxohexanoate (PubChem CID 159759084) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is methane;1-methoxyethyl 5-oxohexanoate.

Molecular Properties

Compound Namemethane;1-methoxyethyl 5-oxohexanoate
PubChem CID159759084
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Namemethane;1-methoxyethyl 5-oxohexanoate
SMILESC.C.COC(C)OC(=O)CCCC(C)=O
InChIInChI=1S/C9H16O4.2CH4/c1-7(10)5-4-6-9(11)13-8(2)12-3;;/h8H,4-6H2,1-3H3;2*1H4
InChIKeyNEQJXZJJRFJPPO-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(1-methoxyethoxy)-6-oxohexanoic acid
CID 87368895
1-methoxyethyl hexadecanoate
CID 20514386
bis(1-methoxycarbonyloxyethyl) nonanedioate
CID 91318095
1-methoxyethyl icosa-5,8,11,14-tetraenoate
CID 173105709
[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate
CID 99793902
methyl 7-oxooctanoate
CID 539108
bis(1-aminoethyl) pentanedioate
CID 155104048
1,3-dihydroxybutan-2-yl 12-oxotridecanoate
CID 164800880
bis(4-methylpentan-2-yl) pentanedioate
CID 87115694
1-acetyloxyethyl hexadecanoate
CID 165389523
2-propan-2-yloxyethyl 5-oxohexanoate
CID 159219412
bis(1-ethoxyethyl) decanedioate
CID 87368848

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxyethyl 5-oxohexanoate?
The IUPAC name of methane;1-methoxyethyl 5-oxohexanoate (CID 159759084) is methane;1-methoxyethyl 5-oxohexanoate.
What is the SMILES notation for methane;1-methoxyethyl 5-oxohexanoate?
The canonical SMILES for methane;1-methoxyethyl 5-oxohexanoate is C.C.COC(C)OC(=O)CCCC(C)=O.
What is the InChIKey of methane;1-methoxyethyl 5-oxohexanoate?
The InChIKey is NEQJXZJJRFJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.2CH4/c1-7(10)5-4-6-9(11)13-8(2)12-3;;/h8H,4-6H2,1-3H3;2*1H4.
What are the key properties of methane;1-methoxyethyl 5-oxohexanoate?
methane;1-methoxyethyl 5-oxohexanoate has a molecular weight of 220.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxyethyl 5-oxohexanoate is sourced from PubChem (CID 159759084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).