(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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

C48H78O10 — CID 160669974

IUPAC(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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)C)C(C)OC.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
InChIInChI=1S/C32H48O7.C16H30O3/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;1-8-14(13(5)18-6)9-10-15(17)12(4)16(19-7)11(2)3/h11-27,31-32H,10H2,1-9H3;9-14,16H,8H2,1-7H3/b15-11+,16-12+,17-14+,18-13+,20-19+;10-9+
InChIKeyRMUKPIRXARPNDY-IJMMAYSFSA-N
MW815.14 g/mol
LogP9.29
Rot. Bonds19

About (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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

(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 160669974) has the molecular formula C48H78O10 and a molecular weight of 815.14 g/mol. Its IUPAC name is (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 CID160669974
Molecular FormulaC48H78O10
Molecular Weight815.14 g/mol
Exact Mass814.56
IUPAC Name(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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)C)C(C)OC.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
InChIInChI=1S/C32H48O7.C16H30O3/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;1-8-14(13(5)18-6)9-10-15(17)12(4)16(19-7)11(2)3/h11-27,31-32H,10H2,1-9H3;9-14,16H,8H2,1-7H3/b15-11+,16-12+,17-14+,18-13+,20-19+;10-9+
InChIKeyRMUKPIRXARPNDY-IJMMAYSFSA-N
XLogP9.29
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.14
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 160669974) is (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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)C)C(C)OC.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 (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 RMUKPIRXARPNDY-IJMMAYSFSA-N. The full InChI is InChI=1S/C32H48O7.C16H30O3/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;1-8-14(13(5)18-6)9-10-15(17)12(4)16(19-7)11(2)3/h11-27,31-32H,10H2,1-9H3;9-14,16H,8H2,1-7H3/b15-11+,16-12+,17-14+,18-13+,20-19+;10-9+.
What are the key properties of (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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?
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 815.14 g/mol, XLogP of 9.29, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one;(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 160669974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).