2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene

C16H24O — CID 11436211

IUPAC2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene
SMILESCCCCOC/C=C/c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O/c1-5-6-9-17-10-7-8-16-14(3)11-13(2)12-15(16)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyJAOOCWIFBXMXMT-BQYQJAHWSA-N
MW232.37 g/mol
LogP4.44
Rot. Bonds6

About 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene

2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene (PubChem CID 11436211) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene
PubChem CID11436211
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene
SMILESCCCCOC/C=C/c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24O/c1-5-6-9-17-10-7-8-16-14(3)11-13(2)12-15(16)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyJAOOCWIFBXMXMT-BQYQJAHWSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
CID 173058757
1,3,5-trichloro-2-[(E)-3-hexoxyprop-1-enyl]benzene
CID 173058483
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
4-(3-butoxyprop-1-enyl)benzaldehyde
CID 54299174
1-butoxybutane;1,2,4-trimethylbenzene
CID 90311214
1-but-2-enoxybutane
CID 543904
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
1-butoxybutane;propan-2-ol;1,3,5-trimethylbenzene
CID 67628315
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721
(Z)-1-butoxy-4-chlorobut-2-ene
CID 14686667

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene (CID 11436211) is 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene is CCCCOC/C=C/c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene?
The InChIKey is JAOOCWIFBXMXMT-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H24O/c1-5-6-9-17-10-7-8-16-14(3)11-13(2)12-15(16)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+.
What are the key properties of 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene?
2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 11436211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).