6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene

C22H20O4 — CID 155814862

IUPAC6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene
SMILESCOc1ccc2c(c1)C=C1CCCC3=Cc4cc(OC)ccc4OC13O2
InChIInChI=1S/C22H20O4/c1-23-18-6-8-20-14(12-18)10-16-4-3-5-17-11-15-13-19(24-2)7-9-21(15)26-22(16,17)25-20/h6-13H,3-5H2,1-2H3
InChIKeyFLVVZCAAAQVPIC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.84
Rot. Bonds2

About 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene

6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene (PubChem CID 155814862) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene.

Molecular Properties

Compound Name6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene
PubChem CID155814862
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene
SMILESCOc1ccc2c(c1)C=C1CCCC3=Cc4cc(OC)ccc4OC13O2
InChIInChI=1S/C22H20O4/c1-23-18-6-8-20-14(12-18)10-16-4-3-5-17-11-15-13-19(24-2)7-9-21(15)26-22(16,17)25-20/h6-13H,3-5H2,1-2H3
InChIKeyFLVVZCAAAQVPIC-UHFFFAOYSA-N
XLogP4.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene with MolForge

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Related Compounds

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2-Allyl-4-methoxy-1-propoxybenzene (4c)
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1,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 69465576
6-Methoxy-2,2-dimethyl-2H-1-benzopyran
CID 11745424
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-6-methoxychromen-2-one
CID 46887467
6,6'-Dimethoxy-3,3'-dimethyl-2,2'-spirobi[chromene]
CID 11660057
1-(2-(3-Methoxybenzyloxy)phenethyl)-3-methoxybenzene
CID 11973922

Frequently Asked Questions

What is the IUPAC name of 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene?
The IUPAC name of 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene (CID 155814862) is 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene.
What is the SMILES notation for 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene?
The canonical SMILES for 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene is COc1ccc2c(c1)C=C1CCCC3=Cc4cc(OC)ccc4OC13O2.
What is the InChIKey of 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene?
The InChIKey is FLVVZCAAAQVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-23-18-6-8-20-14(12-18)10-16-4-3-5-17-11-15-13-19(24-2)7-9-21(15)26-22(16,17)25-20/h6-13H,3-5H2,1-2H3.
What are the key properties of 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene?
6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene has a molecular weight of 348.40 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dimethoxy-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,9,14,16(21),17,19-octaene is sourced from PubChem (CID 155814862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).