3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane

C11H20O2 — CID 23111977

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)(C)OCC1CCC2OC2C1
InChIInChI=1S/C11H20O2/c1-11(2,3)12-7-8-4-5-9-10(6-8)13-9/h8-10H,4-7H2,1-3H3
InChIKeyZLTDOWOOVSLHIS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane

3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 23111977) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID23111977
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)(C)OCC1CCC2OC2C1
InChIInChI=1S/C11H20O2/c1-11(2,3)12-7-8-4-5-9-10(6-8)13-9/h8-10H,4-7H2,1-3H3
InChIKeyZLTDOWOOVSLHIS-UHFFFAOYSA-N
XLogP2.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
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 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane (CID 23111977) is 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane is CC(C)(C)OCC1CCC2OC2C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is ZLTDOWOOVSLHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)12-7-8-4-5-9-10(6-8)13-9/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane?
3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 23111977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).