1,3-bis(but-1-en-2-yl)benzene

C14H18 — CID 19692093

IUPAC1,3-bis(but-1-en-2-yl)benzene
SMILESC=C(CC)c1cccc(C(=C)CC)c1
InChIInChI=1S/C14H18/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2/h7-10H,3-6H2,1-2H3
InChIKeyMCJYURJTWFAFNL-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.53
Rot. Bonds4

About 1,3-bis(but-1-en-2-yl)benzene

1,3-bis(but-1-en-2-yl)benzene (PubChem CID 19692093) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,3-bis(but-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,3-bis(but-1-en-2-yl)benzene
PubChem CID19692093
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,3-bis(but-1-en-2-yl)benzene
SMILESC=C(CC)c1cccc(C(=C)CC)c1
InChIInChI=1S/C14H18/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2/h7-10H,3-6H2,1-2H3
InChIKeyMCJYURJTWFAFNL-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

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2-(3-but-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123255312
2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene
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but-1-en-2-ylbenzene;prop-2-enenitrile
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1,3-bis(but-1-en-2-yl)-5-(2-methylprop-2-enyl)benzene
CID 163571295
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652
1-[1-[(3-but-1-en-2-ylphenyl)methylamino]ethenylamino]pentan-2-one
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1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene
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CID 174102680
CID 174102680
4-but-1-en-2-ylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(but-1-en-2-yl)benzene?
The IUPAC name of 1,3-bis(but-1-en-2-yl)benzene (CID 19692093) is 1,3-bis(but-1-en-2-yl)benzene.
What is the SMILES notation for 1,3-bis(but-1-en-2-yl)benzene?
The canonical SMILES for 1,3-bis(but-1-en-2-yl)benzene is C=C(CC)c1cccc(C(=C)CC)c1.
What is the InChIKey of 1,3-bis(but-1-en-2-yl)benzene?
The InChIKey is MCJYURJTWFAFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1,3-bis(but-1-en-2-yl)benzene?
1,3-bis(but-1-en-2-yl)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 1,3-bis(but-1-en-2-yl)benzene is sourced from PubChem (CID 19692093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).