1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C20H12O3 — CID 15122151

IUPAC1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCC12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4
InChIInChI=1S/C20H12O3/c1-20-17-11-5-2-6-12(17)22-14-8-4-10-16(19(14)20)23-15-9-3-7-13(21-11)18(15)20/h2-10H,1H3
InChIKeyKZTVKRFUPJXBGI-UHFFFAOYSA-N
MW300.31 g/mol
LogP5.36
Rot. Bonds

About 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 15122151) has the molecular formula C20H12O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID15122151
Molecular FormulaC20H12O3
Molecular Weight300.31 g/mol
Exact Mass300.08
IUPAC Name1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCC12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4
InChIInChI=1S/C20H12O3/c1-20-17-11-5-2-6-12(17)22-14-8-4-10-16(19(14)20)23-15-9-3-7-13(21-11)18(15)20/h2-10H,1H3
InChIKeyKZTVKRFUPJXBGI-UHFFFAOYSA-N
XLogP5.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.31
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 15122164
[8-di(propan-2-yl)phosphanyl-9,9-dimethylxanthen-1-yl]-di(propan-2-yl)phosphane
CID 132551670
trimethyl-[1-methyl-10,16-bis(trimethylsilyl)-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]silane
CID 15122160
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
N,N,9-trimethylxanthen-9-amine
CID 68833214
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
9,9-dimethylxanthene-1,2-diol
CID 150510320
15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
CID 58608940
1,5-dibromo-9-methyl-9-phenylxanthene
CID 126567870
13-[8-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-9,9-dimethylxanthen-1-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 101402295
(9-methylxanthen-9-yl)methanol
CID 57435258
10H-phenoxazine
CID 161421901

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 15122151) is 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is CC12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4.
What is the InChIKey of 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is KZTVKRFUPJXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O3/c1-20-17-11-5-2-6-12(17)22-14-8-4-10-16(19(14)20)23-15-9-3-7-13(21-11)18(15)20/h2-10H,1H3.
What are the key properties of 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 300.31 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 15122151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).