[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene

C14H20O3 — CID 11572215

IUPAC[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
SMILESCOCOC/C(C)=C/COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-13(10-17-12-15-2)8-9-16-11-14-6-4-3-5-7-14/h3-8H,9-12H2,1-2H3/b13-8+
InChIKeyPJNIJQSPHBMVHQ-MDWZMJQESA-N
MW236.31 g/mol
LogP2.77
Rot. Bonds8

About [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene

[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene (PubChem CID 11572215) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
PubChem CID11572215
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
SMILESCOCOC/C(C)=C/COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-13(10-17-12-15-2)8-9-16-11-14-6-4-3-5-7-14/h3-8H,9-12H2,1-2H3/b13-8+
InChIKeyPJNIJQSPHBMVHQ-MDWZMJQESA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
3-bromobut-2-enoxymethylbenzene
CID 85427694
methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate
CID 11808935
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
(2E,6E,10E,14E)-1,1-dideuterio-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 11749906
(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
CID 14609864
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
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

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene?
The IUPAC name of [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene (CID 11572215) is [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene is COCOC/C(C)=C/COCc1ccccc1.
What is the InChIKey of [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene?
The InChIKey is PJNIJQSPHBMVHQ-MDWZMJQESA-N. The full InChI is InChI=1S/C14H20O3/c1-13(10-17-12-15-2)8-9-16-11-14-6-4-3-5-7-14/h3-8H,9-12H2,1-2H3/b13-8+.
What are the key properties of [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene?
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene has a molecular weight of 236.31 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene is sourced from PubChem (CID 11572215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).