5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene

C19H18O — CID 90227674

IUPAC5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene
SMILESCc1ccc2c(c1)CCCc1c-2oc2ccc(C)cc12
InChIInChI=1S/C19H18O/c1-12-6-8-15-14(10-12)4-3-5-16-17-11-13(2)7-9-18(17)20-19(15)16/h6-11H,3-5H2,1-2H3
InChIKeyXFKPZMDVICOAJZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP5.21
Rot. Bonds

About 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene

5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene (PubChem CID 90227674) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene.

Molecular Properties

Compound Name5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene
PubChem CID90227674
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene
SMILESCc1ccc2c(c1)CCCc1c-2oc2ccc(C)cc12
InChIInChI=1S/C19H18O/c1-12-6-8-15-14(10-12)4-3-5-16-17-11-13(2)7-9-18(17)20-19(15)16/h6-11H,3-5H2,1-2H3
InChIKeyXFKPZMDVICOAJZ-UHFFFAOYSA-N
XLogP5.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene?
The IUPAC name of 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene (CID 90227674) is 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene.
What is the SMILES notation for 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene?
The canonical SMILES for 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene is Cc1ccc2c(c1)CCCc1c-2oc2ccc(C)cc12.
What is the InChIKey of 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene?
The InChIKey is XFKPZMDVICOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-12-6-8-15-14(10-12)4-3-5-16-17-11-13(2)7-9-18(17)20-19(15)16/h6-11H,3-5H2,1-2H3.
What are the key properties of 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene?
5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene has a molecular weight of 262.35 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene is sourced from PubChem (CID 90227674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).