(3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

C26H40O8 — CID 5376403

IUPAC(3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESCOCOCC(C)C1OC(=O)/C=C/C=C/C(C)C(C(C)COCOC)OC(=O)/C=C/C=C/C1C
InChIInChI=1S/C26H40O8/c1-19-11-7-9-13-24(28)34-26(22(4)16-32-18-30-6)20(2)12-8-10-14-23(27)33-25(19)21(3)15-31-17-29-5/h7-14,19-22,25-26H,15-18H2,1-6H3/b11-7+,12-8+,13-9+,14-10+
InChIKeyFCOMLOQOWDUYKR-DQVHGGFXSA-N
MW480.60 g/mol
LogP3.83
Rot. Bonds10

About (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

(3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (PubChem CID 5376403) has the molecular formula C26H40O8 and a molecular weight of 480.60 g/mol. Its IUPAC name is (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.

Molecular Properties

Compound Name(3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
PubChem CID5376403
Molecular FormulaC26H40O8
Molecular Weight480.60 g/mol
Exact Mass480.27
IUPAC Name(3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESCOCOCC(C)C1OC(=O)/C=C/C=C/C(C)C(C(C)COCOC)OC(=O)/C=C/C=C/C1C
InChIInChI=1S/C26H40O8/c1-19-11-7-9-13-24(28)34-26(22(4)16-32-18-30-6)20(2)12-8-10-14-23(27)33-25(19)21(3)15-31-17-29-5/h7-14,19-22,25-26H,15-18H2,1-6H3/b11-7+,12-8+,13-9+,14-10+
InChIKeyFCOMLOQOWDUYKR-DQVHGGFXSA-N
XLogP3.83
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-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)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The IUPAC name of (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (CID 5376403) is (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.
What is the SMILES notation for (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The canonical SMILES for (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is COCOCC(C)C1OC(=O)/C=C/C=C/C(C)C(C(C)COCOC)OC(=O)/C=C/C=C/C1C.
What is the InChIKey of (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The InChIKey is FCOMLOQOWDUYKR-DQVHGGFXSA-N. The full InChI is InChI=1S/C26H40O8/c1-19-11-7-9-13-24(28)34-26(22(4)16-32-18-30-6)20(2)12-8-10-14-23(27)33-25(19)21(3)15-31-17-29-5/h7-14,19-22,25-26H,15-18H2,1-6H3/b11-7+,12-8+,13-9+,14-10+.
What are the key properties of (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
(3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione has a molecular weight of 480.60 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,11E,13E)-8,16-bis[1-(methoxymethoxy)propan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is sourced from PubChem (CID 5376403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).