6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol

C10H15ClO — CID 69459384

IUPAC6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1(Cl)C=CC=CC1O
InChIInChI=1S/C10H15ClO/c1-9(2,3)10(11)7-5-4-6-8(10)12/h4-8,12H,1-3H3
InChIKeyAZACYZFIOSGQBZ-UHFFFAOYSA-N
MW186.68 g/mol
LogP2.50
Rot. Bonds

About 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol

6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol (PubChem CID 69459384) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
PubChem CID69459384
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1(Cl)C=CC=CC1O
InChIInChI=1S/C10H15ClO/c1-9(2,3)10(11)7-5-4-6-8(10)12/h4-8,12H,1-3H3
InChIKeyAZACYZFIOSGQBZ-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol (CID 69459384) is 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol is CC(C)(C)C1(Cl)C=CC=CC1O.
What is the InChIKey of 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol?
The InChIKey is AZACYZFIOSGQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO/c1-9(2,3)10(11)7-5-4-6-8(10)12/h4-8,12H,1-3H3.
What are the key properties of 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol?
6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol has a molecular weight of 186.68 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69459384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).