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

C10H16O2 — CID 66732688

IUPAC1-tert-butylcyclohexa-3,5-diene-1,2-diol
SMILESCC(C)(C)C1(O)C=CC=CC1O
InChIInChI=1S/C10H16O2/c1-9(2,3)10(12)7-5-4-6-8(10)11/h4-8,11-12H,1-3H3
InChIKeyDAZBIRIECXDERD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds

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

1-tert-butylcyclohexa-3,5-diene-1,2-diol (PubChem CID 66732688) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-tert-butylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1-tert-butylcyclohexa-3,5-diene-1,2-diol
PubChem CID66732688
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-tert-butylcyclohexa-3,5-diene-1,2-diol
SMILESCC(C)(C)C1(O)C=CC=CC1O
InChIInChI=1S/C10H16O2/c1-9(2,3)10(12)7-5-4-6-8(10)11/h4-8,11-12H,1-3H3
InChIKeyDAZBIRIECXDERD-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1-tert-butylcyclohexa-3,5-diene-1,2-diol (CID 66732688) is 1-tert-butylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1-tert-butylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1-tert-butylcyclohexa-3,5-diene-1,2-diol is CC(C)(C)C1(O)C=CC=CC1O.
What is the InChIKey of 1-tert-butylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is DAZBIRIECXDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2,3)10(12)7-5-4-6-8(10)11/h4-8,11-12H,1-3H3.
What are the key properties of 1-tert-butylcyclohexa-3,5-diene-1,2-diol?
1-tert-butylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 66732688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).