4-tert-butylcyclohexa-1,5-diene-1,4-diol

C10H16O2 — CID 67002195

IUPAC4-tert-butylcyclohexa-1,5-diene-1,4-diol
SMILESCC(C)(C)C1(O)C=CC(O)=CC1
InChIInChI=1S/C10H16O2/c1-9(2,3)10(12)6-4-8(11)5-7-10/h4-6,11-12H,7H2,1-3H3
InChIKeyPMYYGAMMFAQAGL-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.17
Rot. Bonds

About 4-tert-butylcyclohexa-1,5-diene-1,4-diol

4-tert-butylcyclohexa-1,5-diene-1,4-diol (PubChem CID 67002195) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-tert-butylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-tert-butylcyclohexa-1,5-diene-1,4-diol
PubChem CID67002195
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-tert-butylcyclohexa-1,5-diene-1,4-diol
SMILESCC(C)(C)C1(O)C=CC(O)=CC1
InChIInChI=1S/C10H16O2/c1-9(2,3)10(12)6-4-8(11)5-7-10/h4-6,11-12H,7H2,1-3H3
InChIKeyPMYYGAMMFAQAGL-UHFFFAOYSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-tert-butylcyclohexa-1,5-diene-1,4-diol (CID 67002195) is 4-tert-butylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-tert-butylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-tert-butylcyclohexa-1,5-diene-1,4-diol is CC(C)(C)C1(O)C=CC(O)=CC1.
What is the InChIKey of 4-tert-butylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is PMYYGAMMFAQAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2,3)10(12)6-4-8(11)5-7-10/h4-6,11-12H,7H2,1-3H3.
What are the key properties of 4-tert-butylcyclohexa-1,5-diene-1,4-diol?
4-tert-butylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 168.24 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 67002195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).