6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene

C20H20O — CID 22970322

IUPAC6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene
SMILESCC1(C)C=Cc2c3c(c4ccccc4c2O1)C1CCC3C1
InChIInChI=1S/C20H20O/c1-20(2)10-9-16-18-13-8-7-12(11-13)17(18)14-5-3-4-6-15(14)19(16)21-20/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyGWVMMVNSDRQYGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.39
Rot. Bonds

About 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene

6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene (PubChem CID 22970322) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene.

Molecular Properties

Compound Name6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene
PubChem CID22970322
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene
SMILESCC1(C)C=Cc2c3c(c4ccccc4c2O1)C1CCC3C1
InChIInChI=1S/C20H20O/c1-20(2)10-9-16-18-13-8-7-12(11-13)17(18)14-5-3-4-6-15(14)19(16)21-20/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyGWVMMVNSDRQYGJ-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
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(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene?
The IUPAC name of 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene (CID 22970322) is 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene.
What is the SMILES notation for 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene?
The canonical SMILES for 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene is CC1(C)C=Cc2c3c(c4ccccc4c2O1)C1CCC3C1.
What is the InChIKey of 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene?
The InChIKey is GWVMMVNSDRQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-20(2)10-9-16-18-13-8-7-12(11-13)17(18)14-5-3-4-6-15(14)19(16)21-20/h3-6,9-10,12-13H,7-8,11H2,1-2H3.
What are the key properties of 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene?
6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene has a molecular weight of 276.38 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene is sourced from PubChem (CID 22970322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).