1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene

C14H20O2 — CID 174644853

IUPAC1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene
SMILESC=C(OC(C)OC(C)C)c1ccccc1C
InChIInChI=1S/C14H20O2/c1-10(2)15-13(5)16-12(4)14-9-7-6-8-11(14)3/h6-10,13H,4H2,1-3,5H3
InChIKeyWVQDFSXSZCFHTN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.75
Rot. Bonds5

About 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene

1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene (PubChem CID 174644853) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene
PubChem CID174644853
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene
SMILESC=C(OC(C)OC(C)C)c1ccccc1C
InChIInChI=1S/C14H20O2/c1-10(2)15-13(5)16-12(4)14-9-7-6-8-11(14)3/h6-10,13H,4H2,1-3,5H3
InChIKeyWVQDFSXSZCFHTN-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium
CID 175025881
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
[(2S)-but-3-en-2-yl] 2-methylbenzoate
CID 125489748
1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
CID 163229113
1-[di(propan-2-yloxy)methyl]-2-methylbenzene
CID 22034845
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
ethane;1-(2-methylphenyl)ethanone
CID 91374073
di(propan-2-yloxy)methyl-(2-prop-1-en-2-ylphenyl)silane
CID 158565955
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709
propan-2-yl 3-hydroxy-2-(2-methylbenzenecarbothioyl)but-2-enoate
CID 173446745

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene?
The IUPAC name of 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene (CID 174644853) is 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene.
What is the SMILES notation for 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene?
The canonical SMILES for 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene is C=C(OC(C)OC(C)C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene?
The InChIKey is WVQDFSXSZCFHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)15-13(5)16-12(4)14-9-7-6-8-11(14)3/h6-10,13H,4H2,1-3,5H3.
What are the key properties of 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene?
1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene is sourced from PubChem (CID 174644853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).