1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene

C18H28O — CID 83939883

IUPAC1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1ccc(OCC)c(C)c1C
InChIInChI=1S/C18H28O/c1-6-9-10-11-16(7-2)17-12-13-18(19-8-3)15(5)14(17)4/h9-10,12-13,16H,6-8,11H2,1-5H3/b10-9-
InChIKeyZJSZROQCHGXPTO-KTKRTIGZSA-N
MW260.42 g/mol
LogP5.55
Rot. Bonds7

About 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene

1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene (PubChem CID 83939883) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene
PubChem CID83939883
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1ccc(OCC)c(C)c1C
InChIInChI=1S/C18H28O/c1-6-9-10-11-16(7-2)17-12-13-18(19-8-3)15(5)14(17)4/h9-10,12-13,16H,6-8,11H2,1-5H3/b10-9-
InChIKeyZJSZROQCHGXPTO-KTKRTIGZSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.55
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

4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
CID 83939803
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
CID 83940652
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
CID 83933692
5-(2,3-dimethyl-4-propoxyphenyl)heptane-2,3-diol
CID 83940032
4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
CID 83933310
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
1-ethoxy-2,3-dimethyl-4-(3-methylhept-4-yn-2-yl)benzene
CID 83939871
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83928771
2,4-diethoxy-3-methylphenol
CID 11030728

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene?
The IUPAC name of 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene (CID 83939883) is 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene?
The canonical SMILES for 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene is CC/C=C\CC(CC)c1ccc(OCC)c(C)c1C.
What is the InChIKey of 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene?
The InChIKey is ZJSZROQCHGXPTO-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H28O/c1-6-9-10-11-16(7-2)17-12-13-18(19-8-3)15(5)14(17)4/h9-10,12-13,16H,6-8,11H2,1-5H3/b10-9-.
What are the key properties of 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene?
1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene has a molecular weight of 260.42 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene is sourced from PubChem (CID 83939883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).