2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone

C34H18O8 — CID 15749494

IUPAC2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone
SMILESO=c1oc2cccc3oc(=O)c4cccc(c4)c(=O)oc4cccc(oc(=O)c5cccc1c5)c4c1cccc(c1)c23
InChIInChI=1S/C34H18O8/c35-31-21-8-2-9-22(17-21)32(36)40-26-13-5-15-28-30(26)20-7-1-6-19(16-20)29-25(39-31)12-4-14-27(29)41-33(37)23-10-3-11-24(18-23)34(38)42-28/h1-18H
InChIKeySMNAKFBTEOSQSF-UHFFFAOYSA-N
MW554.51 g/mol
LogP6.67
Rot. Bonds

About 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone

2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone (PubChem CID 15749494) has the molecular formula C34H18O8 and a molecular weight of 554.51 g/mol. Its IUPAC name is 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone.

Molecular Properties

Compound Name2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone
PubChem CID15749494
Molecular FormulaC34H18O8
Molecular Weight554.51 g/mol
Exact Mass554.10
IUPAC Name2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone
SMILESO=c1oc2cccc3oc(=O)c4cccc(c4)c(=O)oc4cccc(oc(=O)c5cccc1c5)c4c1cccc(c1)c23
InChIInChI=1S/C34H18O8/c35-31-21-8-2-9-22(17-21)32(36)40-26-13-5-15-28-30(26)20-7-1-6-19(16-20)29-25(39-31)12-4-14-27(29)41-33(37)23-10-3-11-24(18-23)34(38)42-28/h1-18H
InChIKeySMNAKFBTEOSQSF-UHFFFAOYSA-N
XLogP6.67
TPSA120.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone?
The IUPAC name of 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone (CID 15749494) is 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone.
What is the SMILES notation for 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone?
The canonical SMILES for 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone is O=c1oc2cccc3oc(=O)c4cccc(c4)c(=O)oc4cccc(oc(=O)c5cccc1c5)c4c1cccc(c1)c23.
What is the InChIKey of 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone?
The InChIKey is SMNAKFBTEOSQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18O8/c35-31-21-8-2-9-22(17-21)32(36)40-26-13-5-15-28-30(26)20-7-1-6-19(16-20)29-25(39-31)12-4-14-27(29)41-33(37)23-10-3-11-24(18-23)34(38)42-28/h1-18H.
What are the key properties of 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone?
2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone has a molecular weight of 554.51 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,16,24-tetraoxaheptacyclo[13.13.7.14,8.118,22.130,34.011,35.025,29]octatriaconta-1(29),4(38),5,7,11(35),12,14,18,20,22(37),25,27,30(36),31,33-pentadecaene-3,9,17,23-tetrone is sourced from PubChem (CID 15749494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).