(2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione

C15H20O3 — CID 71578716

IUPAC(2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione
SMILESC/C1=C/C(=O)/C(C(C)(C)O)=C\C=C(\C)C(=O)CC1
InChIInChI=1S/C15H20O3/c1-10-5-8-13(16)11(2)6-7-12(14(17)9-10)15(3,4)18/h6-7,9,18H,5,8H2,1-4H3/b10-9-,11-6-,12-7+
InChIKeyGWPVAGOEFQQHES-YVWWBNQGSA-N
MW248.32 g/mol
LogP2.51
Rot. Bonds1

About (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione

(2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione (PubChem CID 71578716) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione.

Molecular Properties

Compound Name(2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione
PubChem CID71578716
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione
SMILESC/C1=C/C(=O)/C(C(C)(C)O)=C\C=C(\C)C(=O)CC1
InChIInChI=1S/C15H20O3/c1-10-5-8-13(16)11(2)6-7-12(14(17)9-10)15(3,4)18/h6-7,9,18H,5,8H2,1-4H3/b10-9-,11-6-,12-7+
InChIKeyGWPVAGOEFQQHES-YVWWBNQGSA-N
XLogP2.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione?
The IUPAC name of (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione (CID 71578716) is (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione.
What is the SMILES notation for (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione?
The canonical SMILES for (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione is C/C1=C/C(=O)/C(C(C)(C)O)=C\C=C(\C)C(=O)CC1.
What is the InChIKey of (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione?
The InChIKey is GWPVAGOEFQQHES-YVWWBNQGSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-5-8-13(16)11(2)6-7-12(14(17)9-10)15(3,4)18/h6-7,9,18H,5,8H2,1-4H3/b10-9-,11-6-,12-7+.
What are the key properties of (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione?
(2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione has a molecular weight of 248.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-2,4,7-triene-1,6-dione is sourced from PubChem (CID 71578716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).