8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane

C14H26O4 — CID 118082186

IUPAC8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCOC1C2OCC(C)(C)C1(C(C)(C)OC)OC2C
InChIInChI=1S/C14H26O4/c1-9-10-11(15-6)14(18-9,13(4,5)16-7)12(2,3)8-17-10/h9-11H,8H2,1-7H3
InChIKeyXPILQAPKQCMLFK-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.01
Rot. Bonds3

About 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane

8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 118082186) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane
PubChem CID118082186
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane
SMILESCOC1C2OCC(C)(C)C1(C(C)(C)OC)OC2C
InChIInChI=1S/C14H26O4/c1-9-10-11(15-6)14(18-9,13(4,5)16-7)12(2,3)8-17-10/h9-11H,8H2,1-7H3
InChIKeyXPILQAPKQCMLFK-UHFFFAOYSA-N
XLogP2.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane (CID 118082186) is 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane is COC1C2OCC(C)(C)C1(C(C)(C)OC)OC2C.
What is the InChIKey of 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is XPILQAPKQCMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-9-10-11(15-6)14(18-9,13(4,5)16-7)12(2,3)8-17-10/h9-11H,8H2,1-7H3.
What are the key properties of 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane?
8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 258.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(2-methoxypropan-2-yl)-4,4,7-trimethyl-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 118082186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).