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

C18H20O — CID 143232246

IUPAC11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane
SMILESCC1=CCC=Cc2c1oc1c2=C=CC=CC=1.CCC
InChIInChI=1S/C15H12O.C3H8/c1-11-7-5-6-9-13-12-8-3-2-4-10-14(12)16-15(11)13;1-3-2/h2-4,6-7,9-10H,5H2,1H3;3H2,1-2H3
InChIKeyIYCZHTYAYKBTPR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.80
Rot. Bonds

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

11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane (PubChem CID 143232246) has the molecular formula C18H20O and a molecular weight of 252.36 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;propane.

Molecular Properties

Compound Name11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane
PubChem CID143232246
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane
SMILESCC1=CCC=Cc2c1oc1c2=C=CC=CC=1.CCC
InChIInChI=1S/C15H12O.C3H8/c1-11-7-5-6-9-13-12-8-3-2-4-10-14(12)16-15(11)13;1-3-2/h2-4,6-7,9-10H,5H2,1H3;3H2,1-2H3
InChIKeyIYCZHTYAYKBTPR-UHFFFAOYSA-N
XLogP3.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.80
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;propane 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
CID 143232247
ethane;2-methyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 143029310
ethane;3-ethyl-2,4-dimethylcyclohepta-1,3,5-triene
CID 145320369
3,4-dichloro-2-methylcyclohepta-1,3,5-triene
CID 142429780
2-heptadecylcyclopenta-1,3-diene
CID 91156945
cyclopenta-1,4-dien-1-yl(diethyl)phosphane
CID 137294143
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-ethylsulfanylcyclopenta-1,3-diene
CID 22555381
3-methylsulfanylcyclohexa-1,2,4-triene
CID 123407529
2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
CID 22555230
cyclopenta-1,4-dien-1-yl-(1-ethoxy-2-methylcyclohexa-2,4-dien-1-yl)-dimethylsilane
CID 22555509

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;propane?
The IUPAC name of 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane (CID 143232246) is 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane.
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;propane?
The canonical SMILES for 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane is CC1=CCC=Cc2c1oc1c2=C=CC=CC=1.CCC.
What is the InChIKey of 11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane?
The InChIKey is IYCZHTYAYKBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C3H8/c1-11-7-5-6-9-13-12-8-3-2-4-10-14(12)16-15(11)13;1-3-2/h2-4,6-7,9-10H,5H2,1H3;3H2,1-2H3.
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;propane?
11-methyl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2,3,5,7,11,14-heptaene;propane has a molecular weight of 252.36 g/mol, XLogP of 3.80, 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;propane is sourced from PubChem (CID 143232246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).