6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one

C15H20O3 — CID 145446335

IUPAC6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one
SMILESCC1=CCO/C1=C\C1=C(C)C(=O)C(O)CC1(C)C
InChIInChI=1S/C15H20O3/c1-9-5-6-18-13(9)7-11-10(2)14(17)12(16)8-15(11,3)4/h5,7,12,16H,6,8H2,1-4H3/b13-7-
InChIKeyZTMOGHBSCKBHDF-QPEQYQDCSA-N
MW248.32 g/mol
LogP2.52
Rot. Bonds1

About 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one

6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one (PubChem CID 145446335) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one
PubChem CID145446335
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one
SMILESCC1=CCO/C1=C\C1=C(C)C(=O)C(O)CC1(C)C
InChIInChI=1S/C15H20O3/c1-9-5-6-18-13(9)7-11-10(2)14(17)12(16)8-15(11,3)4/h5,7,12,16H,6,8H2,1-4H3/b13-7-
InChIKeyZTMOGHBSCKBHDF-QPEQYQDCSA-N
XLogP2.52
TPSA46.53 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one (CID 145446335) is 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one is CC1=CCO/C1=C\C1=C(C)C(=O)C(O)CC1(C)C.
What is the InChIKey of 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one?
The InChIKey is ZTMOGHBSCKBHDF-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-5-6-18-13(9)7-11-10(2)14(17)12(16)8-15(11,3)4/h5,7,12,16H,6,8H2,1-4H3/b13-7-.
What are the key properties of 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one?
6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,4,4-trimethyl-3-[(Z)-(4-methyl-2H-furan-5-ylidene)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 145446335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).