1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene

C17H24O — CID 163241353

IUPAC1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
SMILESC/C=C(\C)c1ccc(/C(C)=C/OCCCC)cc1
InChIInChI=1S/C17H24O/c1-5-7-12-18-13-15(4)17-10-8-16(9-11-17)14(3)6-2/h6,8-11,13H,5,7,12H2,1-4H3/b14-6+,15-13+
InChIKeyPIQKTIVADLSLPN-WKRSNNMOSA-N
MW244.38 g/mol
LogP5.29
Rot. Bonds6

About 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene

1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene (PubChem CID 163241353) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
PubChem CID163241353
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
SMILESC/C=C(\C)c1ccc(/C(C)=C/OCCCC)cc1
InChIInChI=1S/C17H24O/c1-5-7-12-18-13-15(4)17-10-8-16(9-11-17)14(3)6-2/h6,8-11,13H,5,7,12H2,1-4H3/b14-6+,15-13+
InChIKeyPIQKTIVADLSLPN-WKRSNNMOSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
CID 146277990
1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
CID 163241268
1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 156647396
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
CID 163402503
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
1-[(E)-1-[(Z)-hex-3-enoxy]prop-1-en-2-yl]-4-methylbenzene
CID 146278023
(2-butoxy-1-phenylethenyl)benzene
CID 57081718
1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 163241352
1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
CID 163402470
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
CID 155674731
N-[4-[(Z)-but-2-en-2-yl]phenyl]pentanamide;ethane
CID 143185274

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene (CID 163241353) is 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene is C/C=C(\C)c1ccc(/C(C)=C/OCCCC)cc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene?
The InChIKey is PIQKTIVADLSLPN-WKRSNNMOSA-N. The full InChI is InChI=1S/C17H24O/c1-5-7-12-18-13-15(4)17-10-8-16(9-11-17)14(3)6-2/h6,8-11,13H,5,7,12H2,1-4H3/b14-6+,15-13+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene?
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene has a molecular weight of 244.38 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene is sourced from PubChem (CID 163241353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).