(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione

C17H24O8 — CID 135061042

IUPAC(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione
SMILESC=C1/C=C/CCOC(=O)C2OC(C)(OC)C(C)(OC)OC2C(=O)OC1
InChIInChI=1S/C17H24O8/c1-11-8-6-7-9-22-14(18)12-13(15(19)23-10-11)25-17(3,21-5)16(2,20-4)24-12/h6,8,12-13H,1,7,9-10H2,2-5H3/b8-6+
InChIKeyQROYMPMFXRPDIQ-SOFGYWHQSA-N
MW356.37 g/mol
LogP1.10
Rot. Bonds2

About (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione

(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione (PubChem CID 135061042) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione.

Molecular Properties

Compound Name(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione
PubChem CID135061042
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione
SMILESC=C1/C=C/CCOC(=O)C2OC(C)(OC)C(C)(OC)OC2C(=O)OC1
InChIInChI=1S/C17H24O8/c1-11-8-6-7-9-22-14(18)12-13(15(19)23-10-11)25-17(3,21-5)16(2,20-4)24-12/h6,8,12-13H,1,7,9-10H2,2-5H3/b8-6+
InChIKeyQROYMPMFXRPDIQ-SOFGYWHQSA-N
XLogP1.10
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione?
The IUPAC name of (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) is (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione.
What is the SMILES notation for (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione?
The canonical SMILES for (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione is C=C1/C=C/CCOC(=O)C2OC(C)(OC)C(C)(OC)OC2C(=O)OC1.
What is the InChIKey of (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione?
The InChIKey is QROYMPMFXRPDIQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H24O8/c1-11-8-6-7-9-22-14(18)12-13(15(19)23-10-11)25-17(3,21-5)16(2,20-4)24-12/h6,8,12-13H,1,7,9-10H2,2-5H3/b8-6+.
What are the key properties of (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione?
(6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione has a molecular weight of 356.37 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-14,15-dimethoxy-14,15-dimethyl-5-methylidene-3,10,13,16-tetraoxabicyclo[10.4.0]hexadec-6-ene-2,11-dione is sourced from PubChem (CID 135061042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).