1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane

C12H22O5 — CID 171063874

IUPAC1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane
SMILESCC.CC(=O)OC(C)OC(=O)CC1CCOC1
InChIInChI=1S/C10H16O5.C2H6/c1-7(11)14-8(2)15-10(12)5-9-3-4-13-6-9;1-2/h8-9H,3-6H2,1-2H3;1-2H3
InChIKeyJQINMPPBFHSUPW-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.89
Rot. Bonds4

About 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane

1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane (PubChem CID 171063874) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane.

Molecular Properties

Compound Name1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane
PubChem CID171063874
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane
SMILESCC.CC(=O)OC(C)OC(=O)CC1CCOC1
InChIInChI=1S/C10H16O5.C2H6/c1-7(11)14-8(2)15-10(12)5-9-3-4-13-6-9;1-2/h8-9H,3-6H2,1-2H3;1-2H3
InChIKeyJQINMPPBFHSUPW-UHFFFAOYSA-N
XLogP1.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
AC1LD4OY
CID 642292
(4S,5S)-5-(Pivaloyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11219495
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
5-Ethoxy-4-ethyloxolan-2-one
CID 12864817
Methyl (s)-5,5-dimethoxy-3-methylpentanoate
CID 12088059
Methyl 2-methyl-4-(oxan-2-yloxy)butanoate
CID 14214410
ethyl 2-[(3R)-2-oxooxolan-3-yl]acetate
CID 92269936
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
(3-Oxo-2,7-dioxabicyclo[3.2.1]octan-6-yl) acetate
CID 123816316
(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one
CID 134841699
Ethyl 3-(triethoxymethyl)pentanoate
CID 134920469

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane?
The IUPAC name of 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane (CID 171063874) is 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane.
What is the SMILES notation for 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane?
The canonical SMILES for 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane is CC.CC(=O)OC(C)OC(=O)CC1CCOC1.
What is the InChIKey of 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane?
The InChIKey is JQINMPPBFHSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5.C2H6/c1-7(11)14-8(2)15-10(12)5-9-3-4-13-6-9;1-2/h8-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane?
1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane has a molecular weight of 246.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane is sourced from PubChem (CID 171063874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).