4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene

C32H32O6 — CID 15071040

IUPAC4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene
SMILESCOc1cc2cc(c1OC)Oc1ccc(cc1)CCc1ccc(OC)c(OC)c1Oc1cccc(c1)CC2
InChIInChI=1S/C32H32O6/c1-33-27-17-14-24-13-10-21-11-15-25(16-12-21)37-29-20-23(19-28(34-2)31(29)35-3)9-8-22-6-5-7-26(18-22)38-30(24)32(27)36-4/h5-7,11-12,14-20H,8-10,13H2,1-4H3
InChIKeyMGKVPKFOERBPFX-UHFFFAOYSA-N
MW512.60 g/mol
LogP7.19
Rot. Bonds4

About 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene

4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene (PubChem CID 15071040) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene.

Molecular Properties

Compound Name4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene
PubChem CID15071040
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene
SMILESCOc1cc2cc(c1OC)Oc1ccc(cc1)CCc1ccc(OC)c(OC)c1Oc1cccc(c1)CC2
InChIInChI=1S/C32H32O6/c1-33-27-17-14-24-13-10-21-11-15-25(16-12-21)37-29-20-23(19-28(34-2)31(29)35-3)9-8-22-6-5-7-26(18-22)38-30(24)32(27)36-4/h5-7,11-12,14-20H,8-10,13H2,1-4H3
InChIKeyMGKVPKFOERBPFX-UHFFFAOYSA-N
XLogP7.19
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene?
The IUPAC name of 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene (CID 15071040) is 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene.
What is the SMILES notation for 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene?
The canonical SMILES for 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene is COc1cc2cc(c1OC)Oc1ccc(cc1)CCc1ccc(OC)c(OC)c1Oc1cccc(c1)CC2.
What is the InChIKey of 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene?
The InChIKey is MGKVPKFOERBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-33-27-17-14-24-13-10-21-11-15-25(16-12-21)37-29-20-23(19-28(34-2)31(29)35-3)9-8-22-6-5-7-26(18-22)38-30(24)32(27)36-4/h5-7,11-12,14-20H,8-10,13H2,1-4H3.
What are the key properties of 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene?
4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene has a molecular weight of 512.60 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,17,18-tetramethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene is sourced from PubChem (CID 15071040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).