ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene

C15H24O2 — CID 143283214

IUPACethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
SMILESCC.COC/C=C/COc1ccc(C)cc1C
InChIInChI=1S/C13H18O2.C2H6/c1-11-6-7-13(12(2)10-11)15-9-5-4-8-14-3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3/b5-4+;
InChIKeyIWBQUUIHMPWYBJ-FXRZFVDSSA-N
MW236.35 g/mol
LogP3.91
Rot. Bonds5

About ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene

ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene (PubChem CID 143283214) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Nameethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
PubChem CID143283214
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
SMILESCC.COC/C=C/COc1ccc(C)cc1C
InChIInChI=1S/C13H18O2.C2H6/c1-11-6-7-13(12(2)10-11)15-9-5-4-8-14-3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3/b5-4+;
InChIKeyIWBQUUIHMPWYBJ-FXRZFVDSSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
methyl 4-(2,4-dimethylphenoxy)-2-methylbut-2-enoate
CID 77076214
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
methyl 4-(2,4-dimethylphenoxy)-2-ethylbut-2-enoate
CID 77100370
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene?
The IUPAC name of ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene (CID 143283214) is ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene.
What is the SMILES notation for ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene?
The canonical SMILES for ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene is CC.COC/C=C/COc1ccc(C)cc1C.
What is the InChIKey of ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene?
The InChIKey is IWBQUUIHMPWYBJ-FXRZFVDSSA-N. The full InChI is InChI=1S/C13H18O2.C2H6/c1-11-6-7-13(12(2)10-11)15-9-5-4-8-14-3;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3/b5-4+;.
What are the key properties of ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene?
ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene has a molecular weight of 236.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 143283214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).