1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene

C14H18 — CID 147431279

IUPAC1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
SMILESC=CC(=C)c1ccc(C(C)CC)cc1
InChIInChI=1S/C14H18/c1-5-11(3)13-7-9-14(10-8-13)12(4)6-2/h5,7-10,12H,1,3,6H2,2,4H3
InChIKeyDUJRHZIVWWBVRF-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.40
Rot. Bonds4

About 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene

1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene (PubChem CID 147431279) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
PubChem CID147431279
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
SMILESC=CC(=C)c1ccc(C(C)CC)cc1
InChIInChI=1S/C14H18/c1-5-11(3)13-7-9-14(10-8-13)12(4)6-2/h5,7-10,12H,1,3,6H2,2,4H3
InChIKeyDUJRHZIVWWBVRF-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene 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

1-(4-butan-2-ylphenyl)-2-phenylethane-1,2-dithione
CID 18994097
1-(4-butan-2-ylphenyl)ethenyl hydrogen carbonate
CID 67689363
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
(2E)-1-(6-butan-2-ylnaphthalen-2-yl)-2-ethenylpenta-2,4-dien-1-one
CID 143060611
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
(E)-1-(4-butan-2-ylphenyl)but-2-en-1-one;ethane
CID 177055276
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
4-butan-2-ylbenzohydrazide
CID 83386529
amino 4-butan-2-ylbenzoate
CID 89484351
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
(NE)-N-[(1E)-1-(4-butan-2-ylphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 166591693

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene?
The IUPAC name of 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene (CID 147431279) is 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene?
The canonical SMILES for 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene is C=CC(=C)c1ccc(C(C)CC)cc1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene?
The InChIKey is DUJRHZIVWWBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-11(3)13-7-9-14(10-8-13)12(4)6-2/h5,7-10,12H,1,3,6H2,2,4H3.
What are the key properties of 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene?
1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene is sourced from PubChem (CID 147431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).