1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene

C16H26O — CID 143611312

IUPAC1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
SMILESCC=C(C)C.CCOc1ccc(C)cc1CC
InChIInChI=1S/C11H16O.C5H10/c1-4-10-8-9(3)6-7-11(10)12-5-2;1-4-5(2)3/h6-8H,4-5H2,1-3H3;4H,1-3H3
InChIKeyNSDKNNYQFBPZBJ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.93
Rot. Bonds3

About 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene

1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene (PubChem CID 143611312) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene.

Molecular Properties

Compound Name1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
PubChem CID143611312
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
SMILESCC=C(C)C.CCOc1ccc(C)cc1CC
InChIInChI=1S/C11H16O.C5H10/c1-4-10-8-9(3)6-7-11(10)12-5-2;1-4-5(2)3/h6-8H,4-5H2,1-3H3;4H,1-3H3
InChIKeyNSDKNNYQFBPZBJ-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.93
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-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
2-chloro-N-(2-chloroethyl)-N-[(2-ethoxy-5-methylphenyl)methyl]ethanamine chloride
CID 53351440
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
CID 129039214
1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
CID 83952506
3-(2-ethoxy-5-methylphenyl)-2-methylpropanethioamide
CID 83933660
1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 82054209
1-(2-ethoxy-5-methylphenyl)prop-1-ene-1,2-dithiol
CID 72543160
[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 63322907
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene?
The IUPAC name of 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene (CID 143611312) is 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene.
What is the SMILES notation for 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene?
The canonical SMILES for 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene is CC=C(C)C.CCOc1ccc(C)cc1CC.
What is the InChIKey of 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene?
The InChIKey is NSDKNNYQFBPZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C5H10/c1-4-10-8-9(3)6-7-11(10)12-5-2;1-4-5(2)3/h6-8H,4-5H2,1-3H3;4H,1-3H3.
What are the key properties of 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene?
1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene has a molecular weight of 234.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene is sourced from PubChem (CID 143611312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).