[7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol

C10H18O4 — CID 71159041

IUPAC[7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol
SMILESCCC1C2CC(COC)OC1(CO)O2
InChIInChI=1S/C10H18O4/c1-3-8-9-4-7(5-12-2)13-10(8,6-11)14-9/h7-9,11H,3-6H2,1-2H3
InChIKeyWTPAONWRXDOMCH-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.54
Rot. Bonds4

About [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol

[7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol (PubChem CID 71159041) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol.

Molecular Properties

Compound Name[7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol
PubChem CID71159041
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol
SMILESCCC1C2CC(COC)OC1(CO)O2
InChIInChI=1S/C10H18O4/c1-3-8-9-4-7(5-12-2)13-10(8,6-11)14-9/h7-9,11H,3-6H2,1-2H3
InChIKeyWTPAONWRXDOMCH-UHFFFAOYSA-N
XLogP0.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol?
The IUPAC name of [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol (CID 71159041) is [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol.
What is the SMILES notation for [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol?
The canonical SMILES for [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol is CCC1C2CC(COC)OC1(CO)O2.
What is the InChIKey of [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol?
The InChIKey is WTPAONWRXDOMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-8-9-4-7(5-12-2)13-10(8,6-11)14-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol?
[7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-3-(methoxymethyl)-2,6-dioxabicyclo[3.1.1]heptan-1-yl]methanol is sourced from PubChem (CID 71159041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).