5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol

C13H18O2 — CID 69416602

IUPAC5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol
SMILESCC1=CCCC2CC(C=CC=C1)OC2O
InChIInChI=1S/C13H18O2/c1-10-5-2-3-8-12-9-11(7-4-6-10)13(14)15-12/h2-3,5-6,8,11-14H,4,7,9H2,1H3
InChIKeyZFQYPRNIIYZREO-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.56
Rot. Bonds

About 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol

5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol (PubChem CID 69416602) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol.

Molecular Properties

Compound Name5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol
PubChem CID69416602
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol
SMILESCC1=CCCC2CC(C=CC=C1)OC2O
InChIInChI=1S/C13H18O2/c1-10-5-2-3-8-12-9-11(7-4-6-10)13(14)15-12/h2-3,5-6,8,11-14H,4,7,9H2,1H3
InChIKeyZFQYPRNIIYZREO-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol?
The IUPAC name of 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol (CID 69416602) is 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol.
What is the SMILES notation for 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol?
The canonical SMILES for 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol is CC1=CCCC2CC(C=CC=C1)OC2O.
What is the InChIKey of 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol?
The InChIKey is ZFQYPRNIIYZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-5-2-3-8-12-9-11(7-4-6-10)13(14)15-12/h2-3,5-6,8,11-14H,4,7,9H2,1H3.
What are the key properties of 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol?
5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol has a molecular weight of 206.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-oxabicyclo[8.2.1]trideca-4,6,8-trien-12-ol is sourced from PubChem (CID 69416602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).