2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene

C14H20O — CID 83940244

IUPAC2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
SMILESC=CCCc1c(C)cc(OCC)cc1C
InChIInChI=1S/C14H20O/c1-5-7-8-14-11(3)9-13(15-6-2)10-12(14)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyGBOZVGPHVDVUNC-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds5

About 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene

2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene (PubChem CID 83940244) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
PubChem CID83940244
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene
SMILESC=CCCc1c(C)cc(OCC)cc1C
InChIInChI=1S/C14H20O/c1-5-7-8-14-11(3)9-13(15-6-2)10-12(14)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyGBOZVGPHVDVUNC-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83940184
4-(4-ethoxy-2,6-dimethylphenyl)butanethioamide
CID 83940226
1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
CID 83923126
1-but-3-enyl-2-chloro-4,5-diethoxybenzene
CID 83943749
4-ethoxy-N,N,2,6-tetramethylaniline;zinc;dihydrochloride
CID 70476800
2-[1-(4-ethoxy-2,6-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83940188
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
CID 83936665
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
CID 90242969
CID 90242969
4-but-3-enyl-2,3,5-trimethylpyridine
CID 143996457

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene?
The IUPAC name of 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene (CID 83940244) is 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene.
What is the SMILES notation for 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene?
The canonical SMILES for 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene is C=CCCc1c(C)cc(OCC)cc1C.
What is the InChIKey of 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene?
The InChIKey is GBOZVGPHVDVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-7-8-14-11(3)9-13(15-6-2)10-12(14)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene?
2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-5-ethoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83940244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).