4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol

C14H24O — CID 150421507

IUPAC4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1(C(C)(C)C)C=CC(O)=CC1
InChIInChI=1S/C14H24O/c1-5-6-9-14(13(2,3)4)10-7-12(15)8-11-14/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyHHWPJZFAGLFHFA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.61
Rot. Bonds3

About 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol

4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol (PubChem CID 150421507) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol
PubChem CID150421507
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1(C(C)(C)C)C=CC(O)=CC1
InChIInChI=1S/C14H24O/c1-5-6-9-14(13(2,3)4)10-7-12(15)8-11-14/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyHHWPJZFAGLFHFA-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-butyl-4-tert-butylcyclohexa-1,5-dien-1-yl) 2-hydroxybenzoate
CID 67295347
4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
CID 70440356
N-(1-butyl-4-hydroxycyclohexa-2,4-dien-1-yl)octadecanamide
CID 150841676
4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol
CID 139709690
1-(4-butyl-4-methoxycyclohexa-1,5-dien-1-yl)ethanone
CID 67461946
4,4-dinitrocyclohexa-1,5-dien-1-ol;methyl octadecanoate
CID 175343909
4-[3-[[3-(1,4-dihydroxycyclohexa-2,4-dien-1-yl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]cyclohexa-1,5-diene-1,4-diol
CID 139886951
2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569
2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
CID 141421761
4-prop-1-enylcyclohexa-1,5-diene-1,4-diol
CID 66591586
4-tert-butyl-2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-ol
CID 175432288
bis(1,4-dihydroxycyclohexa-2,4-dien-1-yl)methanone
CID 141380895

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol (CID 150421507) is 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol is CCCCC1(C(C)(C)C)C=CC(O)=CC1.
What is the InChIKey of 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol?
The InChIKey is HHWPJZFAGLFHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-9-14(13(2,3)4)10-7-12(15)8-11-14/h7-8,10,15H,5-6,9,11H2,1-4H3.
What are the key properties of 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol?
4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol has a molecular weight of 208.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-tert-butylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 150421507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).