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

C18H28O6 — CID 16758302

IUPAC(4Z,6R,7S,12Z,14R,15S)-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-VDSOERLNSA-N
MW340.42 g/mol
LogP2.28
Rot. Bonds2

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

(4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione (PubChem CID 16758302) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione.

Molecular Properties

Compound Name(4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
PubChem CID16758302
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(4Z,6R,7S,12Z,14R,15S)-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-VDSOERLNSA-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 (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The IUPAC name of (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione (CID 16758302) is (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione.
What is the SMILES notation for (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The canonical SMILES for (4Z,6R,7S,12Z,14R,15S)-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 (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The InChIKey is XHGSXZXWBLXYTP-VDSOERLNSA-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 (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
(4Z,6R,7S,12Z,14R,15S)-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 (4Z,6R,7S,12Z,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione is sourced from PubChem (CID 16758302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).