(3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

C32H48O7 — CID 59968481

IUPAC(3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESCCC(/C=C/C(=O)C(C)C(OC)C(C)C1OC(=O)/C=C/C=C/C(C)C(C)OC(=O)/C=C/C=C/C1C)C(C)OC
InChIInChI=1S/C32H48O7/c1-10-27(26(7)36-8)19-20-28(33)23(4)32(37-9)24(5)31-22(3)16-12-14-17-29(34)38-25(6)21(2)15-11-13-18-30(35)39-31/h11-27,31-32H,10H2,1-9H3/b15-11+,16-12+,17-14+,18-13+,20-19+
InChIKeyXMBGMNHFPLQLCE-JNAOFUJGSA-N
MW544.73 g/mol
LogP5.81
Rot. Bonds10

About (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

(3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (PubChem CID 59968481) has the molecular formula C32H48O7 and a molecular weight of 544.73 g/mol. Its IUPAC name is (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.

Molecular Properties

Compound Name(3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
PubChem CID59968481
Molecular FormulaC32H48O7
Molecular Weight544.73 g/mol
Exact Mass544.34
IUPAC Name(3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESCCC(/C=C/C(=O)C(C)C(OC)C(C)C1OC(=O)/C=C/C=C/C(C)C(C)OC(=O)/C=C/C=C/C1C)C(C)OC
InChIInChI=1S/C32H48O7/c1-10-27(26(7)36-8)19-20-28(33)23(4)32(37-9)24(5)31-22(3)16-12-14-17-29(34)38-25(6)21(2)15-11-13-18-30(35)39-31/h11-27,31-32H,10H2,1-9H3/b15-11+,16-12+,17-14+,18-13+,20-19+
InChIKeyXMBGMNHFPLQLCE-JNAOFUJGSA-N
XLogP5.81
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.73
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The IUPAC name of (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (CID 59968481) is (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.
What is the SMILES notation for (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The canonical SMILES for (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is CCC(/C=C/C(=O)C(C)C(OC)C(C)C1OC(=O)/C=C/C=C/C(C)C(C)OC(=O)/C=C/C=C/C1C)C(C)OC.
What is the InChIKey of (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The InChIKey is XMBGMNHFPLQLCE-JNAOFUJGSA-N. The full InChI is InChI=1S/C32H48O7/c1-10-27(26(7)36-8)19-20-28(33)23(4)32(37-9)24(5)31-22(3)16-12-14-17-29(34)38-25(6)21(2)15-11-13-18-30(35)39-31/h11-27,31-32H,10H2,1-9H3/b15-11+,16-12+,17-14+,18-13+,20-19+.
What are the key properties of (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
(3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione has a molecular weight of 544.73 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,11E,13E)-8-[(E)-8-ethyl-3,9-dimethoxy-4-methyl-5-oxodec-6-en-2-yl]-7,15,16-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is sourced from PubChem (CID 59968481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).