(6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate

C14H24O4 — CID 143120313

IUPAC(6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate
SMILESCC1CCC(C(=O)OCC2CCCC(C)O2)CO1
InChIInChI=1S/C14H24O4/c1-10-6-7-12(8-16-10)14(15)17-9-13-5-3-4-11(2)18-13/h10-13H,3-9H2,1-2H3
InChIKeyFULBBADAQQZANA-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.30
Rot. Bonds3

About (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate

(6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate (PubChem CID 143120313) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate.

Molecular Properties

Compound Name(6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate
PubChem CID143120313
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate
SMILESCC1CCC(C(=O)OCC2CCCC(C)O2)CO1
InChIInChI=1S/C14H24O4/c1-10-6-7-12(8-16-10)14(15)17-9-13-5-3-4-11(2)18-13/h10-13H,3-9H2,1-2H3
InChIKeyFULBBADAQQZANA-UHFFFAOYSA-N
XLogP2.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-oxabicyclo[4.1.0]heptan-3-ylmethyl 6-methyloxane-3-carboxylate
CID 129054969
bis(oxiran-2-ylmethyl) cyclohexane-1,3-dicarboxylate
CID 23434861
ethyl 5-methyloxolane-3-carboxylate
CID 114826154
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017
oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
oxiran-2-ylmethyl 3-ethenylcyclohexane-1-carboxylate
CID 135321897
(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
CID 103136986
(5-methyloxolan-2-yl)methyl 1,3-thiazole-4-carboxylate
CID 71967385
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate
CID 103136975
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013

Frequently Asked Questions

What is the IUPAC name of (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate?
The IUPAC name of (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate (CID 143120313) is (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate.
What is the SMILES notation for (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate?
The canonical SMILES for (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate is CC1CCC(C(=O)OCC2CCCC(C)O2)CO1.
What is the InChIKey of (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate?
The InChIKey is FULBBADAQQZANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10-6-7-12(8-16-10)14(15)17-9-13-5-3-4-11(2)18-13/h10-13H,3-9H2,1-2H3.
What are the key properties of (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate?
(6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyloxan-2-yl)methyl 6-methyloxane-3-carboxylate is sourced from PubChem (CID 143120313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).