2,4-dimethyl-1-pent-4-enoxybenzene

C13H18O — CID 64763519

IUPAC2,4-dimethyl-1-pent-4-enoxybenzene
SMILESC=CCCCOc1ccc(C)cc1C
InChIInChI=1S/C13H18O/c1-4-5-6-9-14-13-8-7-11(2)10-12(13)3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyIVOYHBLUWJBYGF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.65
Rot. Bonds5

About 2,4-dimethyl-1-pent-4-enoxybenzene

2,4-dimethyl-1-pent-4-enoxybenzene (PubChem CID 64763519) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,4-dimethyl-1-pent-4-enoxybenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-pent-4-enoxybenzene
PubChem CID64763519
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2,4-dimethyl-1-pent-4-enoxybenzene
SMILESC=CCCCOc1ccc(C)cc1C
InChIInChI=1S/C13H18O/c1-4-5-6-9-14-13-8-7-11(2)10-12(13)3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyIVOYHBLUWJBYGF-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
CID 155580233
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-hept-6-enoxy-5-methylbenzoic acid
CID 107005947
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
2-hept-6-enoxy-5-methylbenzenesulfonyl chloride
CID 107006365
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-but-3-enoxy-5-methylbenzonitrile
CID 107928129
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-pent-4-enoxybenzene?
The IUPAC name of 2,4-dimethyl-1-pent-4-enoxybenzene (CID 64763519) is 2,4-dimethyl-1-pent-4-enoxybenzene.
What is the SMILES notation for 2,4-dimethyl-1-pent-4-enoxybenzene?
The canonical SMILES for 2,4-dimethyl-1-pent-4-enoxybenzene is C=CCCCOc1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-pent-4-enoxybenzene?
The InChIKey is IVOYHBLUWJBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-5-6-9-14-13-8-7-11(2)10-12(13)3/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 2,4-dimethyl-1-pent-4-enoxybenzene?
2,4-dimethyl-1-pent-4-enoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-pent-4-enoxybenzene is sourced from PubChem (CID 64763519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).