1,2-bis(but-1-enyl)benzene

C14H18 — CID 140975855

IUPAC1,2-bis(but-1-enyl)benzene
SMILESCCC=Cc1ccccc1C=CCC
InChIInChI=1S/C14H18/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2/h5-12H,3-4H2,1-2H3
InChIKeyQBRJAWZYIUXCMU-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.53
Rot. Bonds4

About 1,2-bis(but-1-enyl)benzene

1,2-bis(but-1-enyl)benzene (PubChem CID 140975855) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,2-bis(but-1-enyl)benzene.

Molecular Properties

Compound Name1,2-bis(but-1-enyl)benzene
PubChem CID140975855
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,2-bis(but-1-enyl)benzene
SMILESCCC=Cc1ccccc1C=CCC
InChIInChI=1S/C14H18/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2/h5-12H,3-4H2,1-2H3
InChIKeyQBRJAWZYIUXCMU-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-[(Z)-but-1-enyl]phenyl]methanimine
CID 130239187
2-but-1-enylbenzoic acid
CID 66860810
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
benzene;but-1-enylbenzene
CID 157481332
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
1-but-1-enyl-3-chloro-2-methylbenzene
CID 143069251
(2-but-1-enylphenyl)carbamic acid
CID 163942827
anthracene;(E)-hex-3-ene;propane
CID 144562643
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
4-but-1-enyldibenzofuran
CID 154131929
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(but-1-enyl)benzene?
The IUPAC name of 1,2-bis(but-1-enyl)benzene (CID 140975855) is 1,2-bis(but-1-enyl)benzene.
What is the SMILES notation for 1,2-bis(but-1-enyl)benzene?
The canonical SMILES for 1,2-bis(but-1-enyl)benzene is CCC=Cc1ccccc1C=CCC.
What is the InChIKey of 1,2-bis(but-1-enyl)benzene?
The InChIKey is QBRJAWZYIUXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1,2-bis(but-1-enyl)benzene?
1,2-bis(but-1-enyl)benzene has a molecular weight of 186.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(but-1-enyl)benzene is sourced from PubChem (CID 140975855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).