1-but-1-en-2-yl-2-prop-1-enylbenzene

C13H16 — CID 123904805

IUPAC1-but-1-en-2-yl-2-prop-1-enylbenzene
SMILESC=C(CC)c1ccccc1C=CC
InChIInChI=1S/C13H16/c1-4-8-12-9-6-7-10-13(12)11(3)5-2/h4,6-10H,3,5H2,1-2H3
InChIKeyZLSGCCSLIDVJHP-UHFFFAOYSA-N
MW172.27 g/mol
LogP4.14
Rot. Bonds3

About 1-but-1-en-2-yl-2-prop-1-enylbenzene

1-but-1-en-2-yl-2-prop-1-enylbenzene (PubChem CID 123904805) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-prop-1-enylbenzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-prop-1-enylbenzene
PubChem CID123904805
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-but-1-en-2-yl-2-prop-1-enylbenzene
SMILESC=C(CC)c1ccccc1C=CC
InChIInChI=1S/C13H16/c1-4-8-12-9-6-7-10-13(12)11(3)5-2/h4,6-10H,3,5H2,1-2H3
InChIKeyZLSGCCSLIDVJHP-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
CID 164913701
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 154988579
2-but-1-en-2-ylaniline
CID 10582919
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
2-but-1-en-2-yl-N-ethenylaniline
CID 174359316
1,3-bis(but-1-en-2-yl)benzene
CID 19692093
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
1-(2-but-1-en-2-ylphenyl)-1-methylhydrazine
CID 143658635
[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate
CID 144507907
but-1-en-2-ylbenzene;prop-2-enenitrile
CID 160693211

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-prop-1-enylbenzene?
The IUPAC name of 1-but-1-en-2-yl-2-prop-1-enylbenzene (CID 123904805) is 1-but-1-en-2-yl-2-prop-1-enylbenzene.
What is the SMILES notation for 1-but-1-en-2-yl-2-prop-1-enylbenzene?
The canonical SMILES for 1-but-1-en-2-yl-2-prop-1-enylbenzene is C=C(CC)c1ccccc1C=CC.
What is the InChIKey of 1-but-1-en-2-yl-2-prop-1-enylbenzene?
The InChIKey is ZLSGCCSLIDVJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-4-8-12-9-6-7-10-13(12)11(3)5-2/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-2-prop-1-enylbenzene?
1-but-1-en-2-yl-2-prop-1-enylbenzene has a molecular weight of 172.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-prop-1-enylbenzene is sourced from PubChem (CID 123904805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).