2-(3-methylpent-2-enoxy)ethenylbenzene

C14H18O — CID 170558651

IUPAC2-(3-methylpent-2-enoxy)ethenylbenzene
SMILESCCC(C)=CCOC=Cc1ccccc1
InChIInChI=1S/C14H18O/c1-3-13(2)9-11-15-12-10-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyVRZYYBMWCCUJHW-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.03
Rot. Bonds5

About 2-(3-methylpent-2-enoxy)ethenylbenzene

2-(3-methylpent-2-enoxy)ethenylbenzene (PubChem CID 170558651) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(3-methylpent-2-enoxy)ethenylbenzene.

Molecular Properties

Compound Name2-(3-methylpent-2-enoxy)ethenylbenzene
PubChem CID170558651
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(3-methylpent-2-enoxy)ethenylbenzene
SMILESCCC(C)=CCOC=Cc1ccccc1
InChIInChI=1S/C14H18O/c1-3-13(2)9-11-15-12-10-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyVRZYYBMWCCUJHW-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
CID 10726289
2-phenylethenyl propanoate
CID 15502186
2-(chloromethoxy)ethenylbenzene
CID 54484183
[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
CID 22035471
2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
CID 70115763
2-[(Z)-hex-3-enoxy]ethenylbenzene
CID 155674734
2-phenylethenyl 2-oxobutanoate
CID 68843055
methyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 170900338
3,7-dimethylnon-6-en-3-yl 3-phenylprop-2-enoate
CID 68842163
2-(2-chloroethoxy)ethenylbenzene
CID 54340888
[(E)-2-(2-methylsulfanylethoxy)ethenyl]benzene
CID 10821658

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpent-2-enoxy)ethenylbenzene?
The IUPAC name of 2-(3-methylpent-2-enoxy)ethenylbenzene (CID 170558651) is 2-(3-methylpent-2-enoxy)ethenylbenzene.
What is the SMILES notation for 2-(3-methylpent-2-enoxy)ethenylbenzene?
The canonical SMILES for 2-(3-methylpent-2-enoxy)ethenylbenzene is CCC(C)=CCOC=Cc1ccccc1.
What is the InChIKey of 2-(3-methylpent-2-enoxy)ethenylbenzene?
The InChIKey is VRZYYBMWCCUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-3-13(2)9-11-15-12-10-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 2-(3-methylpent-2-enoxy)ethenylbenzene?
2-(3-methylpent-2-enoxy)ethenylbenzene has a molecular weight of 202.30 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpent-2-enoxy)ethenylbenzene is sourced from PubChem (CID 170558651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).