(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

C36H28O4 — CID 15425792

IUPAC(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESCOc1ccc(OC)c2cc3/c(cc12)=c1/cccc/c1=c1\cccc\c1=c1/cc2c(OC)ccc(OC)c2c/c1=3
InChIInChI=1S/C36H28O4/c1-37-33-13-15-35(39-3)31-19-27-25(17-29(31)33)23-11-7-5-9-21(23)22-10-6-8-12-24(22)26-18-30-32(20-28(26)27)36(40-4)16-14-34(30)38-2/h5-20H,1-4H3/b22-21-,25-23-,26-24-,28-27-
InChIKeyDQELXLJSHJFQPB-JFFINWRYSA-N
MW524.62 g/mol
LogP7.49
Rot. Bonds4

About (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene

(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (PubChem CID 15425792) has the molecular formula C36H28O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.

Molecular Properties

Compound Name(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
PubChem CID15425792
Molecular FormulaC36H28O4
Molecular Weight524.62 g/mol
Exact Mass524.20
IUPAC Name(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
SMILESCOc1ccc(OC)c2cc3/c(cc12)=c1/cccc/c1=c1\cccc\c1=c1/cc2c(OC)ccc(OC)c2c/c1=3
InChIInChI=1S/C36H28O4/c1-37-33-13-15-35(39-3)31-19-27-25(17-29(31)33)23-11-7-5-9-21(23)22-10-6-8-12-24(22)26-18-30-32(20-28(26)27)36(40-4)16-14-34(30)38-2/h5-20H,1-4H3/b22-21-,25-23-,26-24-,28-27-
InChIKeyDQELXLJSHJFQPB-JFFINWRYSA-N
XLogP7.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The IUPAC name of (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene (CID 15425792) is (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene.
What is the SMILES notation for (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The canonical SMILES for (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is COc1ccc(OC)c2cc3/c(cc12)=c1/cccc/c1=c1\cccc\c1=c1/cc2c(OC)ccc(OC)c2c/c1=3.
What is the InChIKey of (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
The InChIKey is DQELXLJSHJFQPB-JFFINWRYSA-N. The full InChI is InChI=1S/C36H28O4/c1-37-33-13-15-35(39-3)31-19-27-25(17-29(31)33)23-11-7-5-9-21(23)22-10-6-8-12-24(22)26-18-30-32(20-28(26)27)36(40-4)16-14-34(30)38-2/h5-20H,1-4H3/b22-21-,25-23-,26-24-,28-27-.
What are the key properties of (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene?
(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene has a molecular weight of 524.62 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 15425792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).