methyl 2-(2-methoxyoxan-2-yl)acetate

C9H16O4 — CID 10965266

IUPACmethyl 2-(2-methoxyoxan-2-yl)acetate
SMILESCOC(=O)CC1(OC)CCCCO1
InChIInChI=1S/C9H16O4/c1-11-8(10)7-9(12-2)5-3-4-6-13-9/h3-7H2,1-2H3
InChIKeyPRTPTZUWFJGSAL-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds3

About methyl 2-(2-methoxyoxan-2-yl)acetate

methyl 2-(2-methoxyoxan-2-yl)acetate (PubChem CID 10965266) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 2-(2-methoxyoxan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyoxan-2-yl)acetate
PubChem CID10965266
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 2-(2-methoxyoxan-2-yl)acetate
SMILESCOC(=O)CC1(OC)CCCCO1
InChIInChI=1S/C9H16O4/c1-11-8(10)7-9(12-2)5-3-4-6-13-9/h3-7H2,1-2H3
InChIKeyPRTPTZUWFJGSAL-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-(methoxymethyl)oxane
CID 45090978
methyl 3-[1-(2-methoxy-2-oxoethyl)cyclohexyl]-2-oxopropanoate
CID 10467590
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-(1-prop-2-enylcyclohexyl)acetate
CID 67656256
methyl 2-(1-tert-butylperoxycyclohexyl)acetate
CID 101349207
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
methyl 2-(1-pentoxycyclobutyl)acetate
CID 103272639
methyl 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetate
CID 114820854
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540
2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
CID 74432253

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyoxan-2-yl)acetate?
The IUPAC name of methyl 2-(2-methoxyoxan-2-yl)acetate (CID 10965266) is methyl 2-(2-methoxyoxan-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-methoxyoxan-2-yl)acetate?
The canonical SMILES for methyl 2-(2-methoxyoxan-2-yl)acetate is COC(=O)CC1(OC)CCCCO1.
What is the InChIKey of methyl 2-(2-methoxyoxan-2-yl)acetate?
The InChIKey is PRTPTZUWFJGSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-11-8(10)7-9(12-2)5-3-4-6-13-9/h3-7H2,1-2H3.
What are the key properties of methyl 2-(2-methoxyoxan-2-yl)acetate?
methyl 2-(2-methoxyoxan-2-yl)acetate has a molecular weight of 188.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyoxan-2-yl)acetate is sourced from PubChem (CID 10965266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).