11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene

C22H24O2 — CID 165340348

IUPAC11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene
SMILESCC1(C)Oc2ccccc2C2C1C1c3ccccc3OC1C2(C)C
InChIInChI=1S/C22H24O2/c1-21(2)18-14-10-6-8-12-16(14)24-22(3,4)19(18)17-13-9-5-7-11-15(13)23-20(17)21/h5-12,17-20H,1-4H3
InChIKeyUWNZQMMHMMQNAH-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.14
Rot. Bonds

About 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene

11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene (PubChem CID 165340348) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene.

Molecular Properties

Compound Name11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene
PubChem CID165340348
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene
SMILESCC1(C)Oc2ccccc2C2C1C1c3ccccc3OC1C2(C)C
InChIInChI=1S/C22H24O2/c1-21(2)18-14-10-6-8-12-16(14)24-22(3,4)19(18)17-13-9-5-7-11-15(13)23-20(17)21/h5-12,17-20H,1-4H3
InChIKeyUWNZQMMHMMQNAH-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene with MolForge

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Related Compounds

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(1R,4S,13R,16E,19S)-4,15,15,19-tetramethyl-5,20-dioxapentacyclo[17.8.0.04,13.06,11.021,26]heptacosa-6,8,10,16,21,23,25-heptaene
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Frequently Asked Questions

What is the IUPAC name of 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene?
The IUPAC name of 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene (CID 165340348) is 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene.
What is the SMILES notation for 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene?
The canonical SMILES for 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene is CC1(C)Oc2ccccc2C2C1C1c3ccccc3OC1C2(C)C.
What is the InChIKey of 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene?
The InChIKey is UWNZQMMHMMQNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-21(2)18-14-10-6-8-12-16(14)24-22(3,4)19(18)17-13-9-5-7-11-15(13)23-20(17)21/h5-12,17-20H,1-4H3.
What are the key properties of 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene?
11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene has a molecular weight of 320.43 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,20,20-tetramethyl-9,19-dioxapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene is sourced from PubChem (CID 165340348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).