(1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione

C20H30O8 — CID 134980170

IUPAC(1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione
SMILESC=C1/C=C/CCCOC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OCCC1
InChIInChI=1S/C20H30O8/c1-14-10-7-6-8-12-25-17(21)15-16(18(22)26-13-9-11-14)28-20(3,24-5)19(2,23-4)27-15/h7,10,15-16H,1,6,8-9,11-13H2,2-5H3/b10-7+/t15-,16-,19-,20-/m1/s1
InChIKeyZZYQKWPEKKUMHH-IQUOUZQRSA-N
MW398.45 g/mol
LogP2.27
Rot. Bonds2

About (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione

(1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione (PubChem CID 134980170) has the molecular formula C20H30O8 and a molecular weight of 398.45 g/mol. Its IUPAC name is (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione.

Molecular Properties

Compound Name(1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione
PubChem CID134980170
Molecular FormulaC20H30O8
Molecular Weight398.45 g/mol
Exact Mass398.19
IUPAC Name(1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione
SMILESC=C1/C=C/CCCOC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OCCC1
InChIInChI=1S/C20H30O8/c1-14-10-7-6-8-12-25-17(21)15-16(18(22)26-13-9-11-14)28-20(3,24-5)19(2,23-4)27-15/h7,10,15-16H,1,6,8-9,11-13H2,2-5H3/b10-7+/t15-,16-,19-,20-/m1/s1
InChIKeyZZYQKWPEKKUMHH-IQUOUZQRSA-N
XLogP2.27
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione with MolForge

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Related Compounds

(1R,5Z,11R,13R,14R)-5-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione
CID 101261479
(1R,5Z,12R,14R,15R)-14,15-dimethoxy-14,15-dimethyl-7-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-5-ene-2,11-dione
CID 101261485
(1R,6Z,13R,15R,16R)-15,16-dimethoxy-15,16-dimethyl-8-methylidene-3,11,14,17-tetraoxabicyclo[11.4.0]heptadec-6-ene-2,12-dione
CID 101261486
(1R,6Z,14R,16R,17R)-16,17-dimethoxy-16,17-dimethyl-8-methylidene-3,12,15,18-tetraoxabicyclo[12.4.0]octadec-6-ene-2,13-dione
CID 101261487
(1R,7Z,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione
CID 101361506
(1R,6E,14R,16R,17R)-16,17-dimethoxy-16,17-dimethyl-8-methylidene-3,12,15,18-tetraoxabicyclo[12.4.0]octadec-6-ene-2,13-dione
CID 134979864
(1R,6E,12R,14R,15R)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione
CID 134980061
(1R,6E,13R,15R,16R)-15,16-dimethoxy-15,16-dimethyl-8-methylidene-3,11,14,17-tetraoxabicyclo[11.4.0]heptadec-6-ene-2,12-dione
CID 134980066
(1R,5E,12R,14R,15R)-14,15-dimethoxy-14,15-dimethyl-7-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-5-ene-2,11-dione
CID 134982846
2-O-(4-methylidenehex-5-enyl) 3-O-pent-4-enyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate
CID 135060834
(5Z)-5-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione
CID 135061041
(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione
CID 135061042

Frequently Asked Questions

What is the IUPAC name of (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione?
The IUPAC name of (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione (CID 134980170) is (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione.
What is the SMILES notation for (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione?
The canonical SMILES for (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione is C=C1/C=C/CCCOC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OCCC1.
What is the InChIKey of (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione?
The InChIKey is ZZYQKWPEKKUMHH-IQUOUZQRSA-N. The full InChI is InChI=1S/C20H30O8/c1-14-10-7-6-8-12-25-17(21)15-16(18(22)26-13-9-11-14)28-20(3,24-5)19(2,23-4)27-15/h7,10,15-16H,1,6,8-9,11-13H2,2-5H3/b10-7+/t15-,16-,19-,20-/m1/s1.
What are the key properties of (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione?
(1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione has a molecular weight of 398.45 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7E,15R,17R,18R)-17,18-dimethoxy-17,18-dimethyl-9-methylidene-3,13,16,19-tetraoxabicyclo[13.4.0]nonadec-7-ene-2,14-dione is sourced from PubChem (CID 134980170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).