14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one

C22H28O3 — CID 85101701

IUPAC14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one
SMILESCOC12C=CC(=O)C=C1C1=C(CO2)C(C)CCC2=C1CCCC2(C)C
InChIInChI=1S/C22H28O3/c1-14-7-8-18-16(6-5-10-21(18,2)3)20-17(14)13-25-22(24-4)11-9-15(23)12-19(20)22/h9,11-12,14H,5-8,10,13H2,1-4H3
InChIKeyYMKZVJUNSYAWMV-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.66
Rot. Bonds1

About 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one

14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one (PubChem CID 85101701) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one.

Molecular Properties

Compound Name14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one
PubChem CID85101701
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one
SMILESCOC12C=CC(=O)C=C1C1=C(CO2)C(C)CCC2=C1CCCC2(C)C
InChIInChI=1S/C22H28O3/c1-14-7-8-18-16(6-5-10-21(18,2)3)20-17(14)13-25-22(24-4)11-9-15(23)12-19(20)22/h9,11-12,14H,5-8,10,13H2,1-4H3
InChIKeyYMKZVJUNSYAWMV-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one?
The IUPAC name of 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one (CID 85101701) is 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one.
What is the SMILES notation for 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one?
The canonical SMILES for 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one is COC12C=CC(=O)C=C1C1=C(CO2)C(C)CCC2=C1CCCC2(C)C.
What is the InChIKey of 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one?
The InChIKey is YMKZVJUNSYAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-14-7-8-18-16(6-5-10-21(18,2)3)20-17(14)13-25-22(24-4)11-9-15(23)12-19(20)22/h9,11-12,14H,5-8,10,13H2,1-4H3.
What are the key properties of 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one?
14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one has a molecular weight of 340.46 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one is sourced from PubChem (CID 85101701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).