(13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene

C41H47NO4 — CID 173108183

IUPAC(13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene
SMILESCOC1=C/C(C)=C\C(C)=C/C=CC=C/C(C)=C(/OC)C=C2C=CC(C)=C(C=CN3C=CC=CC3=COC/C=C\C(C)=C/C(C)=C1)O2
InChIInChI=1S/C41H47NO4/c1-31-15-10-9-11-17-35(5)41(44-8)29-38-20-19-36(6)40(46-38)21-23-42-22-13-12-18-37(42)30-45-24-14-16-32(2)26-34(4)28-39(43-7)27-33(3)25-31/h9-23,25-30H,24H2,1-8H3/b10-9?,16-14-,17-11?,23-21?,31-15-,32-26-,33-25-,34-28?,37-30?,38-29?,39-27?,41-35+
InChIKeyZMOAONMUGSAJNG-LZXWMNQHSA-N
MW617.83 g/mol
LogP10.41
Rot. Bonds2

About (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene

(13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene (PubChem CID 173108183) has the molecular formula C41H47NO4 and a molecular weight of 617.83 g/mol. Its IUPAC name is (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene.

Molecular Properties

Compound Name(13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene
PubChem CID173108183
Molecular FormulaC41H47NO4
Molecular Weight617.83 g/mol
Exact Mass617.35
IUPAC Name(13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene
SMILESCOC1=C/C(C)=C\C(C)=C/C=CC=C/C(C)=C(/OC)C=C2C=CC(C)=C(C=CN3C=CC=CC3=COC/C=C\C(C)=C/C(C)=C1)O2
InChIInChI=1S/C41H47NO4/c1-31-15-10-9-11-17-35(5)41(44-8)29-38-20-19-36(6)40(46-38)21-23-42-22-13-12-18-37(42)30-45-24-14-16-32(2)26-34(4)28-39(43-7)27-33(3)25-31/h9-23,25-30H,24H2,1-8H3/b10-9?,16-14-,17-11?,23-21?,31-15-,32-26-,33-25-,34-28?,37-30?,38-29?,39-27?,41-35+
InChIKeyZMOAONMUGSAJNG-LZXWMNQHSA-N
XLogP10.41
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.83
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene?
The IUPAC name of (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene (CID 173108183) is (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene.
What is the SMILES notation for (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene?
The canonical SMILES for (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene is COC1=C/C(C)=C\C(C)=C/C=CC=C/C(C)=C(/OC)C=C2C=CC(C)=C(C=CN3C=CC=CC3=COC/C=C\C(C)=C/C(C)=C1)O2.
What is the InChIKey of (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene?
The InChIKey is ZMOAONMUGSAJNG-LZXWMNQHSA-N. The full InChI is InChI=1S/C41H47NO4/c1-31-15-10-9-11-17-35(5)41(44-8)29-38-20-19-36(6)40(46-38)21-23-42-22-13-12-18-37(42)30-45-24-14-16-32(2)26-34(4)28-39(43-7)27-33(3)25-31/h9-23,25-30H,24H2,1-8H3/b10-9?,16-14-,17-11?,23-21?,31-15-,32-26-,33-25-,34-28?,37-30?,38-29?,39-27?,41-35+.
What are the key properties of (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene?
(13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene has a molecular weight of 617.83 g/mol, XLogP of 10.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (13E,15E,21Z,23E,29E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene is sourced from PubChem (CID 173108183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).