3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol

C14H24O2 — CID 15758095

IUPAC3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol
SMILESCC(C)(C)C1=CC(O)C(O)C(C(C)(C)C)=C1
InChIInChI=1S/C14H24O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,11-12,15-16H,1-6H3
InChIKeyYXFDTQFVZMEVHV-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.67
Rot. Bonds

About 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol

3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol (PubChem CID 15758095) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol
PubChem CID15758095
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol
SMILESCC(C)(C)C1=CC(O)C(O)C(C(C)(C)C)=C1
InChIInChI=1S/C14H24O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,11-12,15-16H,1-6H3
InChIKeyYXFDTQFVZMEVHV-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol (CID 15758095) is 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol is CC(C)(C)C1=CC(O)C(O)C(C(C)(C)C)=C1.
What is the InChIKey of 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is YXFDTQFVZMEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,11-12,15-16H,1-6H3.
What are the key properties of 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol?
3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 224.34 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 15758095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).