14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene

C18H14O — CID 142593040

IUPAC14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene
SMILESCC1C=Cc2oc3c(ccc4ccccc43)c2C=C1
InChIInChI=1S/C18H14O/c1-12-6-9-15-16-10-8-13-4-2-3-5-14(13)18(16)19-17(15)11-7-12/h2-12H,1H3
InChIKeyGLCRPQRFFMVSIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP5.26
Rot. Bonds

About 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene

14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene (PubChem CID 142593040) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene.

Molecular Properties

Compound Name14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene
PubChem CID142593040
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene
SMILESCC1C=Cc2oc3c(ccc4ccccc43)c2C=C1
InChIInChI=1S/C18H14O/c1-12-6-9-15-16-10-8-13-4-2-3-5-14(13)18(16)19-17(15)11-7-12/h2-12H,1H3
InChIKeyGLCRPQRFFMVSIQ-UHFFFAOYSA-N
XLogP5.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.31
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene?
The IUPAC name of 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene (CID 142593040) is 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene.
What is the SMILES notation for 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene?
The canonical SMILES for 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene is CC1C=Cc2oc3c(ccc4ccccc43)c2C=C1.
What is the InChIKey of 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene?
The InChIKey is GLCRPQRFFMVSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-12-6-9-15-16-10-8-13-4-2-3-5-14(13)18(16)19-17(15)11-7-12/h2-12H,1H3.
What are the key properties of 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene?
14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene has a molecular weight of 246.31 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene is sourced from PubChem (CID 142593040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).