1-buta-2,3-dienyl-4-butylbenzene

C14H18 — CID 90986104

IUPAC1-buta-2,3-dienyl-4-butylbenzene
SMILESC=C=CCc1ccc(CCCC)cc1
InChIInChI=1S/C14H18/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h5,9-12H,1,4,6-8H2,2H3
InChIKeyXOECGKXTZYJJHY-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.91
Rot. Bonds5

About 1-buta-2,3-dienyl-4-butylbenzene

1-buta-2,3-dienyl-4-butylbenzene (PubChem CID 90986104) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-buta-2,3-dienyl-4-butylbenzene.

Molecular Properties

Compound Name1-buta-2,3-dienyl-4-butylbenzene
PubChem CID90986104
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-buta-2,3-dienyl-4-butylbenzene
SMILESC=C=CCc1ccc(CCCC)cc1
InChIInChI=1S/C14H18/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h5,9-12H,1,4,6-8H2,2H3
InChIKeyXOECGKXTZYJJHY-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-nonylbenzene
CID 59545302
2-(4-butylphenyl)ethylidene-phosphanylphosphane
CID 89156743
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1-butyl-4-(3-methoxyprop-2-enyl)benzene
CID 67159821
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-butyl-4-pent-4-en-2-ynylbenzene
CID 142720803
(1Z,3Z)-5-(4-butylphenyl)penta-1,3-dien-1-amine
CID 142391741
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienyl-4-butylbenzene?
The IUPAC name of 1-buta-2,3-dienyl-4-butylbenzene (CID 90986104) is 1-buta-2,3-dienyl-4-butylbenzene.
What is the SMILES notation for 1-buta-2,3-dienyl-4-butylbenzene?
The canonical SMILES for 1-buta-2,3-dienyl-4-butylbenzene is C=C=CCc1ccc(CCCC)cc1.
What is the InChIKey of 1-buta-2,3-dienyl-4-butylbenzene?
The InChIKey is XOECGKXTZYJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h5,9-12H,1,4,6-8H2,2H3.
What are the key properties of 1-buta-2,3-dienyl-4-butylbenzene?
1-buta-2,3-dienyl-4-butylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienyl-4-butylbenzene is sourced from PubChem (CID 90986104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).