bis(2-methyloxan-4-yl) carbonate

C13H22O5 — CID 178178580

IUPACbis(2-methyloxan-4-yl) carbonate
SMILESCC1CC(OC(=O)OC2CCOC(C)C2)CCO1
InChIInChI=1S/C13H22O5/c1-9-7-11(3-5-15-9)17-13(14)18-12-4-6-16-10(2)8-12/h9-12H,3-8H2,1-2H3
InChIKeySWAHKVNEEGFJHS-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.27
Rot. Bonds2

About bis(2-methyloxan-4-yl) carbonate

bis(2-methyloxan-4-yl) carbonate (PubChem CID 178178580) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is bis(2-methyloxan-4-yl) carbonate.

Molecular Properties

Compound Namebis(2-methyloxan-4-yl) carbonate
PubChem CID178178580
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Namebis(2-methyloxan-4-yl) carbonate
SMILESCC1CC(OC(=O)OC2CCOC(C)C2)CCO1
InChIInChI=1S/C13H22O5/c1-9-7-11(3-5-15-9)17-13(14)18-12-4-6-16-10(2)8-12/h9-12H,3-8H2,1-2H3
InChIKeySWAHKVNEEGFJHS-UHFFFAOYSA-N
XLogP2.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-methyloxan-4-yl) carbonate?
The IUPAC name of bis(2-methyloxan-4-yl) carbonate (CID 178178580) is bis(2-methyloxan-4-yl) carbonate.
What is the SMILES notation for bis(2-methyloxan-4-yl) carbonate?
The canonical SMILES for bis(2-methyloxan-4-yl) carbonate is CC1CC(OC(=O)OC2CCOC(C)C2)CCO1.
What is the InChIKey of bis(2-methyloxan-4-yl) carbonate?
The InChIKey is SWAHKVNEEGFJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-9-7-11(3-5-15-9)17-13(14)18-12-4-6-16-10(2)8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of bis(2-methyloxan-4-yl) carbonate?
bis(2-methyloxan-4-yl) carbonate has a molecular weight of 258.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyloxan-4-yl) carbonate is sourced from PubChem (CID 178178580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).