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

C18H28O6 — CID 6636710

IUPAC(6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
SMILESCO[C@H]1COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)CC=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/t13-,14-,15-,16-/m0/s1
InChIKeyXHGSXZXWBLXYTP-VGWMRTNUSA-N
MW340.42 g/mol
LogP2.28
Rot. Bonds2

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

(6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione (PubChem CID 6636710) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione.

Molecular Properties

Compound Name(6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
PubChem CID6636710
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione
SMILESCO[C@H]1COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)CC=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/t13-,14-,15-,16-/m0/s1
InChIKeyXHGSXZXWBLXYTP-VGWMRTNUSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The IUPAC name of (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione (CID 6636710) is (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione.
What is the SMILES notation for (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The canonical SMILES for (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione is CO[C@H]1COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)CC=C[C@@H]1C.
What is the InChIKey of (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
The InChIKey is XHGSXZXWBLXYTP-VGWMRTNUSA-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/t13-,14-,15-,16-/m0/s1.
What are the key properties of (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione?
(6S,7R,14S,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 (6S,7R,14S,15R)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadeca-4,12-diene-2,10-dione is sourced from PubChem (CID 6636710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).