4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol

C15H20O2 — CID 142075792

IUPAC4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol
SMILESCc1ccc2c3c1CCC(C)C3OCC2(C)O
InChIInChI=1S/C15H20O2/c1-9-5-7-12-13-11(9)6-4-10(2)14(13)17-8-15(12,3)16/h5,7,10,14,16H,4,6,8H2,1-3H3
InChIKeyQZYOBZOCZCRZKW-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.86
Rot. Bonds

About 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol

4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol (PubChem CID 142075792) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol.

Molecular Properties

Compound Name4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol
PubChem CID142075792
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol
SMILESCc1ccc2c3c1CCC(C)C3OCC2(C)O
InChIInChI=1S/C15H20O2/c1-9-5-7-12-13-11(9)6-4-10(2)14(13)17-8-15(12,3)16/h5,7,10,14,16H,4,6,8H2,1-3H3
InChIKeyQZYOBZOCZCRZKW-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol?
The IUPAC name of 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol (CID 142075792) is 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol.
What is the SMILES notation for 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol?
The canonical SMILES for 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol is Cc1ccc2c3c1CCC(C)C3OCC2(C)O.
What is the InChIKey of 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol?
The InChIKey is QZYOBZOCZCRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-5-7-12-13-11(9)6-4-10(2)14(13)17-8-15(12,3)16/h5,7,10,14,16H,4,6,8H2,1-3H3.
What are the key properties of 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol?
4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol has a molecular weight of 232.32 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-ol is sourced from PubChem (CID 142075792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).