1-butyl-2-(2-methylidenebut-3-enyl)benzene

C15H20 — CID 140596675

IUPAC1-butyl-2-(2-methylidenebut-3-enyl)benzene
SMILESC=CC(=C)Cc1ccccc1CCCC
InChIInChI=1S/C15H20/c1-4-6-9-14-10-7-8-11-15(14)12-13(3)5-2/h5,7-8,10-11H,2-4,6,9,12H2,1H3
InChIKeyXAZKWRAFIQSFQA-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.31
Rot. Bonds6

About 1-butyl-2-(2-methylidenebut-3-enyl)benzene

1-butyl-2-(2-methylidenebut-3-enyl)benzene (PubChem CID 140596675) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-butyl-2-(2-methylidenebut-3-enyl)benzene.

Molecular Properties

Compound Name1-butyl-2-(2-methylidenebut-3-enyl)benzene
PubChem CID140596675
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-butyl-2-(2-methylidenebut-3-enyl)benzene
SMILESC=CC(=C)Cc1ccccc1CCCC
InChIInChI=1S/C15H20/c1-4-6-9-14-10-7-8-11-15(14)12-13(3)5-2/h5,7-8,10-11H,2-4,6,9,12H2,1H3
InChIKeyXAZKWRAFIQSFQA-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-prop-2-enylbenzene
CID 18786435
CID 159940559
CID 159940559
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
S-methyl 2-(2-butylphenyl)ethanethioate
CID 169145203
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
3-butyl-2-ethenylphenol
CID 23312031
1-methoxy-2-(2-methylidenebut-3-enyl)benzene
CID 13111835
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methylidenebut-3-enyl)benzene?
The IUPAC name of 1-butyl-2-(2-methylidenebut-3-enyl)benzene (CID 140596675) is 1-butyl-2-(2-methylidenebut-3-enyl)benzene.
What is the SMILES notation for 1-butyl-2-(2-methylidenebut-3-enyl)benzene?
The canonical SMILES for 1-butyl-2-(2-methylidenebut-3-enyl)benzene is C=CC(=C)Cc1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-(2-methylidenebut-3-enyl)benzene?
The InChIKey is XAZKWRAFIQSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-6-9-14-10-7-8-11-15(14)12-13(3)5-2/h5,7-8,10-11H,2-4,6,9,12H2,1H3.
What are the key properties of 1-butyl-2-(2-methylidenebut-3-enyl)benzene?
1-butyl-2-(2-methylidenebut-3-enyl)benzene has a molecular weight of 200.32 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methylidenebut-3-enyl)benzene is sourced from PubChem (CID 140596675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).