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

C24H38O2 — CID 163402477

IUPAC1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene
SMILESCCCCC/C=C(\C)c1ccc(/C(C)=C/COCCOCCCC)cc1
InChIInChI=1S/C24H38O2/c1-5-7-9-10-11-21(3)23-12-14-24(15-13-23)22(4)16-18-26-20-19-25-17-8-6-2/h11-16H,5-10,17-20H2,1-4H3/b21-11+,22-16+
InChIKeyYAFVDFGTEXVEBE-ZDHFGRQBSA-N
MW358.57 g/mol
LogP6.91
Rot. Bonds14

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

1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene (PubChem CID 163402477) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene
PubChem CID163402477
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene
SMILESCCCCC/C=C(\C)c1ccc(/C(C)=C/COCCOCCCC)cc1
InChIInChI=1S/C24H38O2/c1-5-7-9-10-11-21(3)23-12-14-24(15-13-23)22(4)16-18-26-20-19-25-17-8-6-2/h11-16H,5-10,17-20H2,1-4H3/b21-11+,22-16+
InChIKeyYAFVDFGTEXVEBE-ZDHFGRQBSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-hexadecoxybut-2-en-2-yl]benzene
CID 102429308
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
(E)-4-(4-pentoxyphenyl)pent-3-enoic acid
CID 83957997
4-[(Z)-hex-2-en-2-yl]phenol
CID 68725737
acetylene;N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]benzamide;propane;1-propoxybutane
CID 176922309
4-butoxy-1,1,1-trifluoro-2-methylbut-2-ene
CID 123790817
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene?
The IUPAC name of 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene (CID 163402477) is 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene.
What is the SMILES notation for 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene?
The canonical SMILES for 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene is CCCCC/C=C(\C)c1ccc(/C(C)=C/COCCOCCCC)cc1.
What is the InChIKey of 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene?
The InChIKey is YAFVDFGTEXVEBE-ZDHFGRQBSA-N. The full InChI is InChI=1S/C24H38O2/c1-5-7-9-10-11-21(3)23-12-14-24(15-13-23)22(4)16-18-26-20-19-25-17-8-6-2/h11-16H,5-10,17-20H2,1-4H3/b21-11+,22-16+.
What are the key properties of 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene?
1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene has a molecular weight of 358.57 g/mol, XLogP of 6.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene is sourced from PubChem (CID 163402477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).