5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C13H20O3 — CID 130346313

IUPAC5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESC=C(C)COC1C2CC3C1OC(C)(O)C3C2
InChIInChI=1S/C13H20O3/c1-7(2)6-15-11-8-4-9-10(5-8)13(3,14)16-12(9)11/h8-12,14H,1,4-6H2,2-3H3
InChIKeyKYIRKWGAVBXHHQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds3

About 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 130346313) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID130346313
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESC=C(C)COC1C2CC3C1OC(C)(O)C3C2
InChIInChI=1S/C13H20O3/c1-7(2)6-15-11-8-4-9-10(5-8)13(3,14)16-12(9)11/h8-12,14H,1,4-6H2,2-3H3
InChIKeyKYIRKWGAVBXHHQ-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 130346313) is 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is C=C(C)COC1C2CC3C1OC(C)(O)C3C2.
What is the InChIKey of 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is KYIRKWGAVBXHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-7(2)6-15-11-8-4-9-10(5-8)13(3,14)16-12(9)11/h8-12,14H,1,4-6H2,2-3H3.
What are the key properties of 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 224.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylprop-2-enoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 130346313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).