oxan-2-yl 2,5-diethyloxolane-3-carboxylate

C14H24O4 — CID 23522022

IUPACoxan-2-yl 2,5-diethyloxolane-3-carboxylate
SMILESCCC1CC(C(=O)OC2CCCCO2)C(CC)O1
InChIInChI=1S/C14H24O4/c1-3-10-9-11(12(4-2)17-10)14(15)18-13-7-5-6-8-16-13/h10-13H,3-9H2,1-2H3
InChIKeyDQHSBZBRJQGTST-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.65
Rot. Bonds4

About oxan-2-yl 2,5-diethyloxolane-3-carboxylate

oxan-2-yl 2,5-diethyloxolane-3-carboxylate (PubChem CID 23522022) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is oxan-2-yl 2,5-diethyloxolane-3-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 2,5-diethyloxolane-3-carboxylate
PubChem CID23522022
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameoxan-2-yl 2,5-diethyloxolane-3-carboxylate
SMILESCCC1CC(C(=O)OC2CCCCO2)C(CC)O1
InChIInChI=1S/C14H24O4/c1-3-10-9-11(12(4-2)17-10)14(15)18-13-7-5-6-8-16-13/h10-13H,3-9H2,1-2H3
InChIKeyDQHSBZBRJQGTST-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 101555620
Methyl 1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135021109
ethyl (1R,5S,6R)-1-ethoxy-8-oxabicyclo[3.2.1]octane-6-carboxylate
CID 135041435
(2S,3R,4R)-2,4-dimethyl-3-(oxan-2-yloxy)hexanoic acid
CID 162397394
Methyl (+)-2,4-dimethyl-3-tetrahydropyranyloxy-1-heptanoate
CID 14280461
Methyl 7-[3-formyl-4-(oxan-2-yloxy)oxolan-2-yl]heptanoate
CID 20353470
1-Ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
CID 21351439
3-(2,5-Diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoic acid
CID 21351495
Methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate
CID 21351643
Oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
CID 21351657
3-[1-(1,3-Dioxan-2-yl)propyl]-4-methyloxolane-2,5-dione
CID 22898120
1-Ethoxyethyl 2,5-diethyloxolane-3-carboxylate
CID 23522006

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2,5-diethyloxolane-3-carboxylate?
The IUPAC name of oxan-2-yl 2,5-diethyloxolane-3-carboxylate (CID 23522022) is oxan-2-yl 2,5-diethyloxolane-3-carboxylate.
What is the SMILES notation for oxan-2-yl 2,5-diethyloxolane-3-carboxylate?
The canonical SMILES for oxan-2-yl 2,5-diethyloxolane-3-carboxylate is CCC1CC(C(=O)OC2CCCCO2)C(CC)O1.
What is the InChIKey of oxan-2-yl 2,5-diethyloxolane-3-carboxylate?
The InChIKey is DQHSBZBRJQGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-10-9-11(12(4-2)17-10)14(15)18-13-7-5-6-8-16-13/h10-13H,3-9H2,1-2H3.
What are the key properties of oxan-2-yl 2,5-diethyloxolane-3-carboxylate?
oxan-2-yl 2,5-diethyloxolane-3-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2,5-diethyloxolane-3-carboxylate is sourced from PubChem (CID 23522022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).