7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene

C20H16O2 — CID 132510493

IUPAC7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene
SMILESc1cc2cc(c1)-c1ccc(cc1)-c1cccc(c1)OCCO2
InChIInChI=1S/C20H16O2/c1-3-17-13-19(5-1)21-11-12-22-20-6-2-4-18(14-20)16-9-7-15(17)8-10-16/h1-10,13-14H,11-12H2
InChIKeyZRKXLYMFMUAQRY-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.79
Rot. Bonds

About 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene

7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene (PubChem CID 132510493) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene.

Molecular Properties

Compound Name7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene
PubChem CID132510493
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene
SMILESc1cc2cc(c1)-c1ccc(cc1)-c1cccc(c1)OCCO2
InChIInChI=1S/C20H16O2/c1-3-17-13-19(5-1)21-11-12-22-20-6-2-4-18(14-20)16-9-7-15(17)8-10-16/h1-10,13-14H,11-12H2
InChIKeyZRKXLYMFMUAQRY-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene with MolForge

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Related Compounds

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5,12-dioxa-1,19-diazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-6-one
CID 170094904
7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione
CID 67910781
6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene
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(14E)-2,5,12,17-tetraoxatricyclo[17.3.1.16,10]tetracosa-1(22),6,8,10(24),14,19(23),20-heptaene
CID 102197350
1a,31,34,37,40,43,46,49,83,86,89,92,95,98-tetradecaoxa-9a,10a,12a,13a,18a,19a,21a,22a-octazapentadecacyclo[100.2.2.227,30.250,53.279,82.12,6.17,11.112,16.117,21.122,26.154,58.159,63.164,68.169,73.174,78]docosahecta-1(4a),2(22a),2a(3a),3,5,5a(6a),7,7a(8a),9,9a(78),10a(69),11(21a),11a(68),12(20a),12a(63),13,13a(54),14a(53),15,15a(50),16a(30),17(19a),17a(27),18,18a(26),20,22,24,28,51,55,57,59,61,64,66,70,72,74,76,79,81-dotetracontaene
CID 135034964

Frequently Asked Questions

What is the IUPAC name of 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene?
The IUPAC name of 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene (CID 132510493) is 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene.
What is the SMILES notation for 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene?
The canonical SMILES for 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene is c1cc2cc(c1)-c1ccc(cc1)-c1cccc(c1)OCCO2.
What is the InChIKey of 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene?
The InChIKey is ZRKXLYMFMUAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-3-17-13-19(5-1)21-11-12-22-20-6-2-4-18(14-20)16-9-7-15(17)8-10-16/h1-10,13-14H,11-12H2.
What are the key properties of 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene?
7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene has a molecular weight of 288.35 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxatetracyclo[14.2.2.12,6.111,15]docosa-1(19),2(22),3,5,11,13,15(21),16(20),17-nonaene is sourced from PubChem (CID 132510493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).