(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

C17H24O8 — CID 134980061

IUPAC(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
SMILESC=C1/C=C/CCOC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=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+/t12-,13-,16-,17-/m1/s1
InChIKeyQROYMPMFXRPDIQ-UZJZIBHDSA-N
MW356.37 g/mol
LogP1.10
Rot. Bonds2

About (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

(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 (PubChem CID 134980061) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134980061
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name(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
SMILESC=C1/C=C/CCOC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=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+/t12-,13-,16-,17-/m1/s1
InChIKeyQROYMPMFXRPDIQ-UZJZIBHDSA-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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C1/C=C/CCOC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OC1.
What is the InChIKey of (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?
The InChIKey is QROYMPMFXRPDIQ-UZJZIBHDSA-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+/t12-,13-,16-,17-/m1/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 134980061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).