6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one

C10H14O2 — CID 70598122

IUPAC6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one
SMILESCC(C)(C)C1C(=O)C=CC=C1O
InChIInChI=1S/C10H14O2/c1-10(2,3)9-7(11)5-4-6-8(9)12/h4-6,9,11H,1-3H3
InChIKeyJWBGOSYOAMAQHE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds

About 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one

6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 70598122) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one
PubChem CID70598122
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one
SMILESCC(C)(C)C1C(=O)C=CC=C1O
InChIInChI=1S/C10H14O2/c1-10(2,3)9-7(11)5-4-6-8(9)12/h4-6,9,11H,1-3H3
InChIKeyJWBGOSYOAMAQHE-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one (CID 70598122) is 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one is CC(C)(C)C1C(=O)C=CC=C1O.
What is the InChIKey of 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is JWBGOSYOAMAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2,3)9-7(11)5-4-6-8(9)12/h4-6,9,11H,1-3H3.
What are the key properties of 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one?
6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 70598122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).