[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol

C10H20O4 — CID 58731913

IUPAC[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
SMILESCCC1(COC)COC(C)(CO)OC1
InChIInChI=1S/C10H20O4/c1-4-10(6-12-3)7-13-9(2,5-11)14-8-10/h11H,4-8H2,1-3H3
InChIKeyHNJQTAWLFHTSBC-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.78
Rot. Bonds4

About [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol

[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol (PubChem CID 58731913) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
PubChem CID58731913
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
SMILESCCC1(COC)COC(C)(CO)OC1
InChIInChI=1S/C10H20O4/c1-4-10(6-12-3)7-13-9(2,5-11)14-8-10/h11H,4-8H2,1-3H3
InChIKeyHNJQTAWLFHTSBC-UHFFFAOYSA-N
XLogP0.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol?
The IUPAC name of [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol (CID 58731913) is [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol.
What is the SMILES notation for [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol?
The canonical SMILES for [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol is CCC1(COC)COC(C)(CO)OC1.
What is the InChIKey of [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol?
The InChIKey is HNJQTAWLFHTSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-10(6-12-3)7-13-9(2,5-11)14-8-10/h11H,4-8H2,1-3H3.
What are the key properties of [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol?
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol is sourced from PubChem (CID 58731913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).