1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene

C14H24 — CID 143023152

IUPAC1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene
SMILESCCC(C)C1=CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H24/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7,9,11H,6,8,10H2,1-5H3
InChIKeyIXTMMAYAYAZCAG-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds2

About 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene

1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene (PubChem CID 143023152) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene
PubChem CID143023152
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene
SMILESCCC(C)C1=CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H24/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7,9,11H,6,8,10H2,1-5H3
InChIKeyIXTMMAYAYAZCAG-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
CID 156827134
1-tert-butyl-4-(4-tert-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 91433632
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene
CID 123737639
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)propane-2-thiol
CID 91006508
N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline
CID 163998353
1-tert-butyl-4-iodocyclohexa-1,3-diene
CID 70804776
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916
(4-butan-2-ylcyclohexa-1,3-dien-1-yl) adamantane-1-carboxylate
CID 90268270
1-tert-butyl-4-methylcyclohepta-1,3-diene
CID 90801662
5-(4-ethylcyclohexa-1,3-dien-1-yl)hexan-2-ol
CID 142281390

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene?
The IUPAC name of 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene (CID 143023152) is 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene.
What is the SMILES notation for 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene?
The canonical SMILES for 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene is CCC(C)C1=CC=C(C(C)(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene?
The InChIKey is IXTMMAYAYAZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene?
1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene is sourced from PubChem (CID 143023152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).