5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol

C11H18O2 — CID 89051022

IUPAC5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1OC1C1C(C)C2CC(O)C1C2
InChIInChI=1S/C11H18O2/c1-5-7-3-8(9(12)4-7)10(5)11-6(2)13-11/h5-12H,3-4H2,1-2H3
InChIKeyJWYDDZNJMWPWAW-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.43
Rot. Bonds1

About 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol

5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 89051022) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol
PubChem CID89051022
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1OC1C1C(C)C2CC(O)C1C2
InChIInChI=1S/C11H18O2/c1-5-7-3-8(9(12)4-7)10(5)11-6(2)13-11/h5-12H,3-4H2,1-2H3
InChIKeyJWYDDZNJMWPWAW-UHFFFAOYSA-N
XLogP1.43
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol (CID 89051022) is 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol is CC1OC1C1C(C)C2CC(O)C1C2.
What is the InChIKey of 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is JWYDDZNJMWPWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-7-3-8(9(12)4-7)10(5)11-6(2)13-11/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol?
5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methyloxiran-2-yl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 89051022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).