6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one

C8H14O4 — CID 10797320

IUPAC6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one
SMILESCCOC1COC(C)(C)C(=O)O1
InChIInChI=1S/C8H14O4/c1-4-10-6-5-11-8(2,3)7(9)12-6/h6H,4-5H2,1-3H3
InChIKeyMSIFBRMRMQPRNA-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds2

About 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one

6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one (PubChem CID 10797320) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one.

Molecular Properties

Compound Name6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one
PubChem CID10797320
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one
SMILESCCOC1COC(C)(C)C(=O)O1
InChIInChI=1S/C8H14O4/c1-4-10-6-5-11-8(2,3)7(9)12-6/h6H,4-5H2,1-3H3
InChIKeyMSIFBRMRMQPRNA-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one?
The IUPAC name of 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one (CID 10797320) is 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one.
What is the SMILES notation for 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one?
The canonical SMILES for 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one is CCOC1COC(C)(C)C(=O)O1.
What is the InChIKey of 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one?
The InChIKey is MSIFBRMRMQPRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-10-6-5-11-8(2,3)7(9)12-6/h6H,4-5H2,1-3H3.
What are the key properties of 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one?
6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one is sourced from PubChem (CID 10797320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).