11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene

C22H16O4 — CID 23727474

IUPAC11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene
SMILESCc1cc2c3cc4c(cc3cc(C)c2c2cc3c(cc12)OCO3)OCO4
InChIInChI=1S/C22H16O4/c1-11-4-16-15-7-20-18(23-9-25-20)5-13(15)3-12(2)22(16)17-8-21-19(6-14(11)17)24-10-26-21/h3-8H,9-10H2,1-2H3
InChIKeyMNHWOYXHIDVZHK-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.22
Rot. Bonds

About 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene

11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene (PubChem CID 23727474) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene.

Molecular Properties

Compound Name11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene
PubChem CID23727474
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene
SMILESCc1cc2c3cc4c(cc3cc(C)c2c2cc3c(cc12)OCO3)OCO4
InChIInChI=1S/C22H16O4/c1-11-4-16-15-7-20-18(23-9-25-20)5-13(15)3-12(2)22(16)17-8-21-19(6-14(11)17)24-10-26-21/h3-8H,9-10H2,1-2H3
InChIKeyMNHWOYXHIDVZHK-UHFFFAOYSA-N
XLogP5.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene with MolForge

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Related Compounds

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CID 11773352
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
16-methyl-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15,17,19-octaen-14-one
CID 135193860
6-methyl-8-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)disulfanyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 13085991
5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
CID 71340713
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
5-(4-fluorophenyl)-8-methylbenzo[f][1,3]benzodioxole
CID 132533237
13,15-dimethoxy-14-methyl-5,7-dioxa-14-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene
CID 88773450
6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 12668716
5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene
CID 14037817
12-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
CID 11726211
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306

Frequently Asked Questions

What is the IUPAC name of 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene?
The IUPAC name of 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene (CID 23727474) is 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene.
What is the SMILES notation for 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene?
The canonical SMILES for 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene is Cc1cc2c3cc4c(cc3cc(C)c2c2cc3c(cc12)OCO3)OCO4.
What is the InChIKey of 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene?
The InChIKey is MNHWOYXHIDVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-11-4-16-15-7-20-18(23-9-25-20)5-13(15)3-12(2)22(16)17-8-21-19(6-14(11)17)24-10-26-21/h3-8H,9-10H2,1-2H3.
What are the key properties of 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene?
11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene has a molecular weight of 344.37 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,24-dimethyl-5,7,17,19-tetraoxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene is sourced from PubChem (CID 23727474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).