(5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate

C11H20O5 — CID 59167144

IUPAC(5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate
SMILESCCC1(C)COC(C)(COC(=O)OC)CO1
InChIInChI=1S/C11H20O5/c1-5-10(2)7-16-11(3,8-15-10)6-14-9(12)13-4/h5-8H2,1-4H3
InChIKeyMSHIRYGTYVQNBU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.74
Rot. Bonds3

About (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate

(5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate (PubChem CID 59167144) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate.

Molecular Properties

Compound Name(5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate
PubChem CID59167144
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate
SMILESCCC1(C)COC(C)(COC(=O)OC)CO1
InChIInChI=1S/C11H20O5/c1-5-10(2)7-16-11(3,8-15-10)6-14-9(12)13-4/h5-8H2,1-4H3
InChIKeyMSHIRYGTYVQNBU-UHFFFAOYSA-N
XLogP1.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate?
The IUPAC name of (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate (CID 59167144) is (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate.
What is the SMILES notation for (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate?
The canonical SMILES for (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate is CCC1(C)COC(C)(COC(=O)OC)CO1.
What is the InChIKey of (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate?
The InChIKey is MSHIRYGTYVQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-10(2)7-16-11(3,8-15-10)6-14-9(12)13-4/h5-8H2,1-4H3.
What are the key properties of (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate?
(5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate has a molecular weight of 232.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate is sourced from PubChem (CID 59167144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).