oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate

C15H26O4 — CID 21351657

IUPACoxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
SMILESCCC1CC(C)(C(=O)OC2CCCCO2)C(CC)O1
InChIInChI=1S/C15H26O4/c1-4-11-10-15(3,12(5-2)18-11)14(16)19-13-8-6-7-9-17-13/h11-13H,4-10H2,1-3H3
InChIKeyAIQWKZXPRLAVKG-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.04
Rot. Bonds4

About oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate

oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate (PubChem CID 21351657) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
PubChem CID21351657
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nameoxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
SMILESCCC1CC(C)(C(=O)OC2CCCCO2)C(CC)O1
InChIInChI=1S/C15H26O4/c1-4-11-10-15(3,12(5-2)18-11)14(16)19-13-8-6-7-9-17-13/h11-13H,4-10H2,1-3H3
InChIKeyAIQWKZXPRLAVKG-UHFFFAOYSA-N
XLogP3.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?
The IUPAC name of oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate (CID 21351657) is oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate.
What is the SMILES notation for oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?
The canonical SMILES for oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate is CCC1CC(C)(C(=O)OC2CCCCO2)C(CC)O1.
What is the InChIKey of oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?
The InChIKey is AIQWKZXPRLAVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-11-10-15(3,12(5-2)18-11)14(16)19-13-8-6-7-9-17-13/h11-13H,4-10H2,1-3H3.
What are the key properties of oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate?
oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 3.04, 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-diethyl-3-methyloxolane-3-carboxylate is sourced from PubChem (CID 21351657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).