8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene

C22H20O2 — CID 22971527

IUPAC8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
SMILESCc1cccc2c1-c1c(C)cccc1OCc1ccc(cc1)CO2
InChIInChI=1S/C22H20O2/c1-15-5-3-7-19-21(15)22-16(2)6-4-8-20(22)24-14-18-11-9-17(10-12-18)13-23-19/h3-12H,13-14H2,1-2H3
InChIKeySQGYQJMIYOKHMR-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.44
Rot. Bonds

About 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene

8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene (PubChem CID 22971527) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene.

Molecular Properties

Compound Name8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
PubChem CID22971527
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
SMILESCc1cccc2c1-c1c(C)cccc1OCc1ccc(cc1)CO2
InChIInChI=1S/C22H20O2/c1-15-5-3-7-19-21(15)22-16(2)6-4-8-20(22)24-14-18-11-9-17(10-12-18)13-23-19/h3-12H,13-14H2,1-2H3
InChIKeySQGYQJMIYOKHMR-UHFFFAOYSA-N
XLogP5.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene?
The IUPAC name of 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene (CID 22971527) is 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene.
What is the SMILES notation for 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene?
The canonical SMILES for 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene is Cc1cccc2c1-c1c(C)cccc1OCc1ccc(cc1)CO2.
What is the InChIKey of 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene?
The InChIKey is SQGYQJMIYOKHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-15-5-3-7-19-21(15)22-16(2)6-4-8-20(22)24-14-18-11-9-17(10-12-18)13-23-19/h3-12H,13-14H2,1-2H3.
What are the key properties of 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene?
8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene has a molecular weight of 316.40 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene is sourced from PubChem (CID 22971527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).