2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane

C11H20O — CID 91365764

IUPAC2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2CC1C1OC21.CC(C)C
InChIInChI=1S/C7H10O.C4H10/c1-2-5-3-4(1)6-7(5)8-6;1-4(2)3/h4-7H,1-3H2;4H,1-3H3
InChIKeyXCHFUQBMHQWSBG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds

About 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane

2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 91365764) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane
PubChem CID91365764
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2CC1C1OC21.CC(C)C
InChIInChI=1S/C7H10O.C4H10/c1-2-5-3-4(1)6-7(5)8-6;1-4(2)3/h4-7H,1-3H2;4H,1-3H3
InChIKeyXCHFUQBMHQWSBG-UHFFFAOYSA-N
XLogP2.85
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane (CID 91365764) is 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane is C1CC2CC1C1OC21.CC(C)C.
What is the InChIKey of 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is XCHFUQBMHQWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C4H10/c1-2-5-3-4(1)6-7(5)8-6;1-4(2)3/h4-7H,1-3H2;4H,1-3H3.
What are the key properties of 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane?
2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 91365764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).