ethyl 2-(2-methoxyoxan-2-yl)acetate

C10H18O4 — CID 102422761

IUPACethyl 2-(2-methoxyoxan-2-yl)acetate
SMILESCCOC(=O)CC1(OC)CCCCO1
InChIInChI=1S/C10H18O4/c1-3-13-9(11)8-10(12-2)6-4-5-7-14-10/h3-8H2,1-2H3
InChIKeyQJQIZIUOURNINM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds4

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

ethyl 2-(2-methoxyoxan-2-yl)acetate (PubChem CID 102422761) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(2-methoxyoxan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyoxan-2-yl)acetate
PubChem CID102422761
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-(2-methoxyoxan-2-yl)acetate
SMILESCCOC(=O)CC1(OC)CCCCO1
InChIInChI=1S/C10H18O4/c1-3-13-9(11)8-10(12-2)6-4-5-7-14-10/h3-8H2,1-2H3
InChIKeyQJQIZIUOURNINM-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(2-hydroxyoxan-2-yl)acetate
CID 10082029
tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate
CID 14434698
2-[(2S,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]acetic acid
CID 10889255
methyl 2-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 11474186
Ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
CID 14101474
Methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 14735319
ethyl 2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetate
CID 25059017
2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetic acid
CID 25059018
methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate
CID 101055946
Methyl (2,6-dimethyl-1,3-dioxan-4-yl)acetate
CID 129701984
methyl 2-[(4R,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 134841879
(1R,5R)-1-methyl-2,9-dioxabicyclo[3.3.1]nonan-3-one
CID 134917918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyoxan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-methoxyoxan-2-yl)acetate (CID 102422761) is ethyl 2-(2-methoxyoxan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methoxyoxan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-methoxyoxan-2-yl)acetate is CCOC(=O)CC1(OC)CCCCO1.
What is the InChIKey of ethyl 2-(2-methoxyoxan-2-yl)acetate?
The InChIKey is QJQIZIUOURNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-13-9(11)8-10(12-2)6-4-5-7-14-10/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-methoxyoxan-2-yl)acetate?
ethyl 2-(2-methoxyoxan-2-yl)acetate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyoxan-2-yl)acetate is sourced from PubChem (CID 102422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).