1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one

C15H24O2 — CID 135244387

IUPAC1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(C)C1=CCC(C)(C(=O)C(C)(C)O)C=C1
InChIInChI=1S/C15H24O2/c1-13(2,3)11-7-9-15(6,10-8-11)12(16)14(4,5)17/h7-9,17H,10H2,1-6H3
InChIKeyIXEVXOIYWXCFBK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.27
Rot. Bonds2

About 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 135244387) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID135244387
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(C)C1=CCC(C)(C(=O)C(C)(C)O)C=C1
InChIInChI=1S/C15H24O2/c1-13(2,3)11-7-9-15(6,10-8-11)12(16)14(4,5)17/h7-9,17H,10H2,1-6H3
InChIKeyIXEVXOIYWXCFBK-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 135244387) is 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one is CC(C)(C)C1=CCC(C)(C(=O)C(C)(C)O)C=C1.
What is the InChIKey of 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is IXEVXOIYWXCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2,3)11-7-9-15(6,10-8-11)12(16)14(4,5)17/h7-9,17H,10H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 135244387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).