(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione

C18H28O6 — CID 139040031

IUPAC(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
SMILESCO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](OC)COC(=O)C/C=C/[C@H]1C
InChIInChI=1S/C18H28O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h5-8,13-16H,9-12H2,1-4H3/b7-5+,8-6+/t13-,14-,15+,16+/m1/s1
InChIKeyXHGSXZXWBLXYTP-BQAOQLTRSA-N
MW340.42 g/mol
LogP2.28
Rot. Bonds2

About (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione

(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione (PubChem CID 139040031) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione.

Molecular Properties

Compound Name(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
PubChem CID139040031
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
SMILESCO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](OC)COC(=O)C/C=C/[C@H]1C
InChIInChI=1S/C18H28O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h5-8,13-16H,9-12H2,1-4H3/b7-5+,8-6+/t13-,14-,15+,16+/m1/s1
InChIKeyXHGSXZXWBLXYTP-BQAOQLTRSA-N
XLogP2.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione with MolForge

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Related Compounds

Isopropyl (e)-7-methyl-4-octenoate
CID 164576917
(3S,8Z,10S,11R,16Z,18S,19R)-11,19-dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione
CID 16758283
(4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 16758302
(3R,7R)-E-Ethyl 8tert. butoxy-3,7-dimethyl-4-octenoate
CID 12923297
ethyl (E,5R)-5-methylhept-3-enoate
CID 87632302
(3S,8Z,10R,11S,16Z,18R,19S)-11,19-dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione
CID 16758249
(3R,8Z,10R,11S,16Z,18S,19R)-11,19-dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione
CID 16758250
(3S,8Z,10S,11R,16Z,18S,19S)-11,19-dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione
CID 16758287
(3R,8Z,10S,11R,16Z,18S,19R)-11,19-dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione
CID 16758290
(4Z,6S,7R,12Z,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
CID 16758306
methyl (Z,5R)-5-[(2S,3S,6S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-3-enoate
CID 16758354
2-Ethylhex-3-enyl acetate
CID 154214295

Frequently Asked Questions

What is the IUPAC name of (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The IUPAC name of (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione (CID 139040031) is (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione.
What is the SMILES notation for (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The canonical SMILES for (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione is CO[C@H]1COC(=O)C/C=C/[C@@H](C)[C@@H](OC)COC(=O)C/C=C/[C@H]1C.
What is the InChIKey of (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The InChIKey is XHGSXZXWBLXYTP-BQAOQLTRSA-N. The full InChI is InChI=1S/C18H28O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h5-8,13-16H,9-12H2,1-4H3/b7-5+,8-6+/t13-,14-,15+,16+/m1/s1.
What are the key properties of (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
(4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione has a molecular weight of 340.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R,7R,12E,14R,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione is sourced from PubChem (CID 139040031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).