11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene

C15H12O — CID 143232247

IUPAC11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene
SMILESCC1=CCC=Cc2c1oc1c2=C=CC=CC=1
InChIInChI=1S/C15H12O/c1-11-7-5-6-9-13-12-8-3-2-4-10-14(12)16-15(11)13/h2-4,6-7,9-10H,5H2,1H3
InChIKeyXNYOPASOQRUEKJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.39
Rot. Bonds

About 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene

11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene (PubChem CID 143232247) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene.

Molecular Properties

Compound Name11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene
PubChem CID143232247
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene
SMILESCC1=CCC=Cc2c1oc1c2=C=CC=CC=1
InChIInChI=1S/C15H12O/c1-11-7-5-6-9-13-12-8-3-2-4-10-14(12)16-15(11)13/h2-4,6-7,9-10H,5H2,1H3
InChIKeyXNYOPASOQRUEKJ-UHFFFAOYSA-N
XLogP2.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene with MolForge

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Related Compounds

11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane
CID 143232246
ethane;2-methyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 143029310
3,4-dichloro-2-methylcyclohepta-1,3,5-triene
CID 142429780
3-methylsulfanylcyclohexa-1,2,4-triene
CID 123407529
ethane;3-ethyl-2,4-dimethylcyclohepta-1,3,5-triene
CID 145320369
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
4-methyl-2,6-dihydroisoquinoline
CID 21059285
3-methylcyclohexa-1,2,4-triene
CID 91064189
1-(5-chlorocyclohepta-1,4,6-trien-1-yl)oxy-5-methylcyclohepta-1,2,4,6-tetraene
CID 145350502
1-methylcycloocta-1,2,4,5,7-pentaene
CID 123730588
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105

Frequently Asked Questions

What is the IUPAC name of 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene?
The IUPAC name of 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene (CID 143232247) is 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene.
What is the SMILES notation for 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene?
The canonical SMILES for 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene is CC1=CCC=Cc2c1oc1c2=C=CC=CC=1.
What is the InChIKey of 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene?
The InChIKey is XNYOPASOQRUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-11-7-5-6-9-13-12-8-3-2-4-10-14(12)16-15(11)13/h2-4,6-7,9-10H,5H2,1H3.
What are the key properties of 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene?
11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene has a molecular weight of 208.26 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene is sourced from PubChem (CID 143232247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).