4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane

C11H20O2 — CID 59735556

IUPAC4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCOCC(C)C1CCC2(C)OC2C1
InChIInChI=1S/C11H20O2/c1-8(7-12-3)9-4-5-11(2)10(6-9)13-11/h8-10H,4-7H2,1-3H3
InChIKeyRCEHPMAALHYOPZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.23
Rot. Bonds3

About 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane

4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 59735556) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID59735556
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCOCC(C)C1CCC2(C)OC2C1
InChIInChI=1S/C11H20O2/c1-8(7-12-3)9-4-5-11(2)10(6-9)13-11/h8-10H,4-7H2,1-3H3
InChIKeyRCEHPMAALHYOPZ-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane (CID 59735556) is 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane is COCC(C)C1CCC2(C)OC2C1.
What is the InChIKey of 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is RCEHPMAALHYOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(7-12-3)9-4-5-11(2)10(6-9)13-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane?
4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 184.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59735556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).