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

C14H24O — CID 172822423

IUPAC6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol
SMILESCCCCC1(C(C)(C)C)C=CC=CC1O
InChIInChI=1S/C14H24O/c1-5-6-10-14(13(2,3)4)11-8-7-9-12(14)15/h7-9,11-12,15H,5-6,10H2,1-4H3
InChIKeyUKCGENNTUOLGIT-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds3

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

6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol (PubChem CID 172822423) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol
PubChem CID172822423
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol
SMILESCCCCC1(C(C)(C)C)C=CC=CC1O
InChIInChI=1S/C14H24O/c1-5-6-10-14(13(2,3)4)11-8-7-9-12(14)15/h7-9,11-12,15H,5-6,10H2,1-4H3
InChIKeyUKCGENNTUOLGIT-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol (CID 172822423) is 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol is CCCCC1(C(C)(C)C)C=CC=CC1O.
What is the InChIKey of 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol?
The InChIKey is UKCGENNTUOLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-10-14(13(2,3)4)11-8-7-9-12(14)15/h7-9,11-12,15H,5-6,10H2,1-4H3.
What are the key properties of 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol?
6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 172822423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).