6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one

C13H10O2 — CID 90482464

IUPAC6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one
SMILESO=C1OC2C3c4ccccc4C4C2C4C13
InChIInChI=1S/C13H10O2/c14-13-11-8-6-4-2-1-3-5(6)7-9(11)10(7)12(8)15-13/h1-4,7-12H
InChIKeyJSSSVTCBLRSVRK-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.67
Rot. Bonds

About 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one

6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one (PubChem CID 90482464) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one.

Molecular Properties

Compound Name6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one
PubChem CID90482464
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one
SMILESO=C1OC2C3c4ccccc4C4C2C4C13
InChIInChI=1S/C13H10O2/c14-13-11-8-6-4-2-1-3-5(6)7-9(11)10(7)12(8)15-13/h1-4,7-12H
InChIKeyJSSSVTCBLRSVRK-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one?
The IUPAC name of 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one (CID 90482464) is 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one.
What is the SMILES notation for 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one?
The canonical SMILES for 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one is O=C1OC2C3c4ccccc4C4C2C4C13.
What is the InChIKey of 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one?
The InChIKey is JSSSVTCBLRSVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13-11-8-6-4-2-1-3-5(6)7-9(11)10(7)12(8)15-13/h1-4,7-12H.
What are the key properties of 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one?
6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one has a molecular weight of 198.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one is sourced from PubChem (CID 90482464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).