but-2-enylbenzene;3-methylbut-3-enylbenzene

C21H26 — CID 157229371

IUPACbut-2-enylbenzene;3-methylbut-3-enylbenzene
SMILESC=C(C)CCc1ccccc1.CC=CCc1ccccc1
InChIInChI=1S/C11H14.C10H12/c1-10(2)8-9-11-6-4-3-5-7-11;1-2-3-7-10-8-5-4-6-9-10/h3-7H,1,8-9H2,2H3;2-6,8-9H,7H2,1H3
InChIKeyATXRTBTURRTFCP-UHFFFAOYSA-N
MW278.44 g/mol
LogP6.00
Rot. Bonds5

About but-2-enylbenzene;3-methylbut-3-enylbenzene

but-2-enylbenzene;3-methylbut-3-enylbenzene (PubChem CID 157229371) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is but-2-enylbenzene;3-methylbut-3-enylbenzene.

Molecular Properties

Compound Namebut-2-enylbenzene;3-methylbut-3-enylbenzene
PubChem CID157229371
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Namebut-2-enylbenzene;3-methylbut-3-enylbenzene
SMILESC=C(C)CCc1ccccc1.CC=CCc1ccccc1
InChIInChI=1S/C11H14.C10H12/c1-10(2)8-9-11-6-4-3-5-7-11;1-2-3-7-10-8-5-4-6-9-10/h3-7H,1,8-9H2,2H3;2-6,8-9H,7H2,1H3
InChIKeyATXRTBTURRTFCP-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-2-enylbenzene;prop-1-ene
CID 159250462
but-2-enylbenzene;ethylbenzene
CID 162289742
[(4Z)-8-methylnona-4,8-dienyl]benzene
CID 10775019
[(E)-3-methylidenehex-4-enyl]benzene
CID 15074252
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
4-(3-methylbut-3-enyl)aniline
CID 126710999
4-phenylbutan-2-one;prop-1-ene
CID 166128425
pent-3-enylbenzene
CID 519421
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904

Frequently Asked Questions

What is the IUPAC name of but-2-enylbenzene;3-methylbut-3-enylbenzene?
The IUPAC name of but-2-enylbenzene;3-methylbut-3-enylbenzene (CID 157229371) is but-2-enylbenzene;3-methylbut-3-enylbenzene.
What is the SMILES notation for but-2-enylbenzene;3-methylbut-3-enylbenzene?
The canonical SMILES for but-2-enylbenzene;3-methylbut-3-enylbenzene is C=C(C)CCc1ccccc1.CC=CCc1ccccc1.
What is the InChIKey of but-2-enylbenzene;3-methylbut-3-enylbenzene?
The InChIKey is ATXRTBTURRTFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C10H12/c1-10(2)8-9-11-6-4-3-5-7-11;1-2-3-7-10-8-5-4-6-9-10/h3-7H,1,8-9H2,2H3;2-6,8-9H,7H2,1H3.
What are the key properties of but-2-enylbenzene;3-methylbut-3-enylbenzene?
but-2-enylbenzene;3-methylbut-3-enylbenzene has a molecular weight of 278.44 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylbenzene;3-methylbut-3-enylbenzene is sourced from PubChem (CID 157229371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).