4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione

C30H26O6 — CID 139084304

IUPAC4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)c1ccc(cc1)OCCCCOc1ccc(cc1)C3=O
InChIInChI=1S/C30H26O6/c1-33-24-15-9-19-10-16-25(34-2)28-26(19)27(24)29(31)20-5-11-22(12-6-20)35-17-3-4-18-36-23-13-7-21(8-14-23)30(28)32/h5-16H,3-4,17-18H2,1-2H3
InChIKeyFLUDLFYVAOMRDB-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.87
Rot. Bonds2

About 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione

4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione (PubChem CID 139084304) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione.

Molecular Properties

Compound Name4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione
PubChem CID139084304
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)c1ccc(cc1)OCCCCOc1ccc(cc1)C3=O
InChIInChI=1S/C30H26O6/c1-33-24-15-9-19-10-16-25(34-2)28-26(19)27(24)29(31)20-5-11-22(12-6-20)35-17-3-4-18-36-23-13-7-21(8-14-23)30(28)32/h5-16H,3-4,17-18H2,1-2H3
InChIKeyFLUDLFYVAOMRDB-UHFFFAOYSA-N
XLogP5.87
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione with MolForge

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Related Compounds

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4,9-dimethoxy-3-methyl-2,3-dihydrophenalen-1-one
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CID 164740707
2,16-dioxatetracyclo[15.2.2.23,6.28,11]pentacosa-1(19),3(25),4,6(24),8(23),9,11(22),17,20-nonaen-7-one;1,4-diphenoxybenzene
CID 159404490
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CID 11226408
6,15,23,32-tetramethoxy-9,12,26,29-tetraoxapentacyclo[29.3.1.13,7.114,18.120,24]octatriaconta-1(35),3(38),4,6,14,16,18(37),20(36),21,23,31,33-dodecaene-2,19-dione
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4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
CID 10781274
N-(8-methoxy-2-oxo-10-oxa-1-azatricyclo[7.5.1.05,15]pentadeca-3,5(15),6,8-tetraen-3-yl)-4-methylbenzenesulfonamide
CID 11441379

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione?
The IUPAC name of 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione (CID 139084304) is 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione.
What is the SMILES notation for 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione?
The canonical SMILES for 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione is COc1ccc2ccc(OC)c3c2c1C(=O)c1ccc(cc1)OCCCCOc1ccc(cc1)C3=O.
What is the InChIKey of 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione?
The InChIKey is FLUDLFYVAOMRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-33-24-15-9-19-10-16-25(34-2)28-26(19)27(24)29(31)20-5-11-22(12-6-20)35-17-3-4-18-36-23-13-7-21(8-14-23)30(28)32/h5-16H,3-4,17-18H2,1-2H3.
What are the key properties of 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione?
4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione has a molecular weight of 482.53 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13(29),14,16(28),23,26-undecaene-2,12-dione is sourced from PubChem (CID 139084304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).