(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione

C17H24O8 — CID 135061434

IUPAC(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione
SMILESC=C/C1=C/COC(=O)C2OC(C)(OC)C(C)(OC)OC2C(=O)OCC1
InChIInChI=1S/C17H24O8/c1-6-11-7-9-22-14(18)12-13(15(19)23-10-8-11)25-17(3,21-5)16(2,20-4)24-12/h6-7,12-13H,1,8-10H2,2-5H3/b11-7-
InChIKeyVTOOHWARNLWFGM-XFFZJAGNSA-N
MW356.37 g/mol
LogP1.10
Rot. Bonds3

About (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione

(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione (PubChem CID 135061434) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione.

Molecular Properties

Compound Name(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione
PubChem CID135061434
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione
SMILESC=C/C1=C/COC(=O)C2OC(C)(OC)C(C)(OC)OC2C(=O)OCC1
InChIInChI=1S/C17H24O8/c1-6-11-7-9-22-14(18)12-13(15(19)23-10-8-11)25-17(3,21-5)16(2,20-4)24-12/h6-7,12-13H,1,8-10H2,2-5H3/b11-7-
InChIKeyVTOOHWARNLWFGM-XFFZJAGNSA-N
XLogP1.10
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
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

Analyze (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione with MolForge

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Related Compounds

(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
(1S,5R,6S,7R,8S,12S,14S,15S)-14,15-dimethoxy-14,15-dimethyl-6,7-diphenyl-3,10,13,16-tetraoxatricyclo[10.4.0.05,8]hexadecane-4,9-dione
CID 10625076
(3S,5R,6R)-3-[(3R,4R)-3-[(S)-hydroxy(phenyl)methyl]-2-oxooxan-4-yl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
CID 11661174
(3S,5R,6R)-3-[(3R,4R)-3-[(R)-hydroxy-(4-methoxyphenyl)methyl]-2-oxooxan-4-yl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
CID 11654755
(1R,4R,10S,12R,13R,15R,18R,24S,26R,27R)-12,13,26,27-tetramethoxy-4,12,13,18,26,27-hexamethyl-3,11,14,17,25,28-hexaoxatricyclo[22.4.0.010,15]octacosane-2,16-dione
CID 11433635
(3S,5S,6S)-5,6-dimethoxy-3,5,6-trimethyl-1,4-dioxan-2-one
CID 71415044
(2R,3R,4aS,5R,8aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-8-oxo-5,6,7,8a-tetrahydro-4aH-benzo[b][1,4]dioxine-6-carbaldehyde
CID 91930488
(4R)-4-[(2R,5S,6S)-5,6-dimethoxy-5,6-dimethyl-3-oxo-1,4-dioxan-2-yl]-3,4-dihydrochromen-2-one
CID 101159608
(4S)-4-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-oxo-1,4-dioxan-2-yl]-3,4-dihydrochromen-2-one
CID 11551760
methyl (6R,8aS)-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-8-oxo-4a,5,7,8a-tetrahydrobenzo[b][1,4]dioxine-6-carboxylate
CID 6612753
methyl (2S,3S,4aR,6S,8S,8aR)-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-8-prop-2-enoxy-5,7,8,8a-tetrahydro-4aH-benzo[b][1,4]dioxine-6-carboxylate
CID 10937288
(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde
CID 130737161

Frequently Asked Questions

What is the IUPAC name of (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione?
The IUPAC name of (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione (CID 135061434) is (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione.
What is the SMILES notation for (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione?
The canonical SMILES for (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione is C=C/C1=C/COC(=O)C2OC(C)(OC)C(C)(OC)OC2C(=O)OCC1.
What is the InChIKey of (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione?
The InChIKey is VTOOHWARNLWFGM-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H24O8/c1-6-11-7-9-22-14(18)12-13(15(19)23-10-8-11)25-17(3,21-5)16(2,20-4)24-12/h6-7,12-13H,1,8-10H2,2-5H3/b11-7-.
What are the key properties of (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione?
(5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione has a molecular weight of 356.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-ethenyl-13,14-dimethoxy-13,14-dimethyl-3,9,12,15-tetraoxabicyclo[9.4.0]pentadec-5-ene-2,10-dione is sourced from PubChem (CID 135061434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).