[(E)-3-methylpent-2-enoxy]methylbenzene

C13H18O — CID 12622244

IUPAC[(E)-3-methylpent-2-enoxy]methylbenzene
SMILESCC/C(C)=C/COCc1ccccc1
InChIInChI=1S/C13H18O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3/b12-9+
InChIKeyFBXZTDXNBCOQLN-FMIVXFBMSA-N
MW190.29 g/mol
LogP3.56
Rot. Bonds5

About [(E)-3-methylpent-2-enoxy]methylbenzene

[(E)-3-methylpent-2-enoxy]methylbenzene (PubChem CID 12622244) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [(E)-3-methylpent-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-3-methylpent-2-enoxy]methylbenzene
PubChem CID12622244
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[(E)-3-methylpent-2-enoxy]methylbenzene
SMILESCC/C(C)=C/COCc1ccccc1
InChIInChI=1S/C13H18O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3/b12-9+
InChIKeyFBXZTDXNBCOQLN-FMIVXFBMSA-N
XLogP3.56
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 ≤ 53.56
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

(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
3-bromobut-2-enoxymethylbenzene
CID 85427694
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
(2E,6E,10E,14E)-1,1-dideuterio-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 11749906
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
2-[(E)-4-methyl-6-phenylmethoxyhex-4-enyl]propane-1,3-diol
CID 101336587
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140
2,2-dimethyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-phenylmethoxytrideca-3,7,11-trienyl]oxirane
CID 11234877

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylpent-2-enoxy]methylbenzene?
The IUPAC name of [(E)-3-methylpent-2-enoxy]methylbenzene (CID 12622244) is [(E)-3-methylpent-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-3-methylpent-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-3-methylpent-2-enoxy]methylbenzene is CC/C(C)=C/COCc1ccccc1.
What is the InChIKey of [(E)-3-methylpent-2-enoxy]methylbenzene?
The InChIKey is FBXZTDXNBCOQLN-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H18O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3/b12-9+.
What are the key properties of [(E)-3-methylpent-2-enoxy]methylbenzene?
[(E)-3-methylpent-2-enoxy]methylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylpent-2-enoxy]methylbenzene is sourced from PubChem (CID 12622244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).