2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one

C15H22O2 — CID 134822156

IUPAC2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one
SMILESCC(C)=C1C=C(C(C)C)C(=O)C(O)=C1C(C)C
InChIInChI=1S/C15H22O2/c1-8(2)11-7-12(9(3)4)14(16)15(17)13(11)10(5)6/h7,9-10,17H,1-6H3
InChIKeyGJMGOSVAFCEXPV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.96
Rot. Bonds2

About 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one

2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one (PubChem CID 134822156) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one
PubChem CID134822156
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one
SMILESCC(C)=C1C=C(C(C)C)C(=O)C(O)=C1C(C)C
InChIInChI=1S/C15H22O2/c1-8(2)11-7-12(9(3)4)14(16)15(17)13(11)10(5)6/h7,9-10,17H,1-6H3
InChIKeyGJMGOSVAFCEXPV-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one (CID 134822156) is 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one is CC(C)=C1C=C(C(C)C)C(=O)C(O)=C1C(C)C.
What is the InChIKey of 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one?
The InChIKey is GJMGOSVAFCEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8(2)11-7-12(9(3)4)14(16)15(17)13(11)10(5)6/h7,9-10,17H,1-6H3.
What are the key properties of 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one?
2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6-di(propan-2-yl)-4-propan-2-ylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 134822156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).