(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one

C32H44O2 — CID 89330334

IUPAC(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one
SMILESC=C(OCC)/C(C)=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C(\C)C(=O)CCC
InChIInChI=1S/C32H44O2/c1-10-16-32(33)30(8)24-28(6)22-15-20-26(4)18-13-12-17-25(3)19-14-21-27(5)23-29(7)31(9)34-11-2/h12-15,17-24H,9-11,16H2,1-8H3/b13-12+,19-14+,20-15+,25-17+,26-18+,27-21+,28-22+,29-23+,30-24+
InChIKeyFSTGQXOBSFQACB-CBMAETBLSA-N
MW460.70 g/mol
LogP9.25
Rot. Bonds14

About (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one

(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one (PubChem CID 89330334) has the molecular formula C32H44O2 and a molecular weight of 460.70 g/mol. Its IUPAC name is (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one.

Molecular Properties

Compound Name(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one
PubChem CID89330334
Molecular FormulaC32H44O2
Molecular Weight460.70 g/mol
Exact Mass460.33
IUPAC Name(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one
SMILESC=C(OCC)/C(C)=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C(\C)C(=O)CCC
InChIInChI=1S/C32H44O2/c1-10-16-32(33)30(8)24-28(6)22-15-20-26(4)18-13-12-17-25(3)19-14-21-27(5)23-29(7)31(9)34-11-2/h12-15,17-24H,9-11,16H2,1-8H3/b13-12+,19-14+,20-15+,25-17+,26-18+,27-21+,28-22+,29-23+,30-24+
InChIKeyFSTGQXOBSFQACB-CBMAETBLSA-N
XLogP9.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one?
The IUPAC name of (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one (CID 89330334) is (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one.
What is the SMILES notation for (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one?
The canonical SMILES for (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one is C=C(OCC)/C(C)=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C(\C)C(=O)CCC.
What is the InChIKey of (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one?
The InChIKey is FSTGQXOBSFQACB-CBMAETBLSA-N. The full InChI is InChI=1S/C32H44O2/c1-10-16-32(33)30(8)24-28(6)22-15-20-26(4)18-13-12-17-25(3)19-14-21-27(5)23-29(7)31(9)34-11-2/h12-15,17-24H,9-11,16H2,1-8H3/b13-12+,19-14+,20-15+,25-17+,26-18+,27-21+,28-22+,29-23+,30-24+.
What are the key properties of (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one?
(5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one has a molecular weight of 460.70 g/mol, XLogP of 9.25, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E,11E,13E,15E,17E,19E,21E)-23-ethoxy-5,7,11,16,20,22-hexamethyltetracosa-5,7,9,11,13,15,17,19,21,23-decaen-4-one is sourced from PubChem (CID 89330334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).