1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene

C16H24O2 — CID 23504250

IUPAC1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene
SMILESC=Cc1ccc(OC(OC(C)C)C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-7-13-8-10-14(11-9-13)18-15(16(4,5)6)17-12(2)3/h7-12,15H,1H2,2-6H3
InChIKeyHOQRMEDTAPNKJC-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.51
Rot. Bonds5

About 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene

1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene (PubChem CID 23504250) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene
PubChem CID23504250
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene
SMILESC=Cc1ccc(OC(OC(C)C)C(C)(C)C)cc1
InChIInChI=1S/C16H24O2/c1-7-13-8-10-14(11-9-13)18-15(16(4,5)6)17-12(2)3/h7-12,15H,1H2,2-6H3
InChIKeyHOQRMEDTAPNKJC-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene
CID 139785643
1-ethenyl-3-(1-propan-2-yloxyethoxy)benzene
CID 22184224
1-ethenyl-4-hexan-3-yloxybenzene
CID 22475840
1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
CID 70159395
1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
CID 22057357
1-tert-butyl-4-ethenylbenzene
CID 15627
4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one
CID 69079143
1-ethenyl-4-methylperoxybenzene
CID 21053359
4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
CID 89096007

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene?
The IUPAC name of 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene (CID 23504250) is 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene.
What is the SMILES notation for 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene?
The canonical SMILES for 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene is C=Cc1ccc(OC(OC(C)C)C(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene?
The InChIKey is HOQRMEDTAPNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-13-8-10-14(11-9-13)18-15(16(4,5)6)17-12(2)3/h7-12,15H,1H2,2-6H3.
What are the key properties of 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene?
1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene has a molecular weight of 248.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-propan-2-yloxypropoxy)-4-ethenylbenzene is sourced from PubChem (CID 23504250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).