1,1-diethoxyethane;2-phenylethylbenzene

C20H28O2 — CID 66689331

IUPAC1,1-diethoxyethane;2-phenylethylbenzene
SMILESCCOC(C)OCC.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C6H14O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-4-7-6(3)8-5-2/h1-10H,11-12H2;6H,4-5H2,1-3H3
InChIKeyCZDQGRGYVBYLHA-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.88
Rot. Bonds7

About 1,1-diethoxyethane;2-phenylethylbenzene

1,1-diethoxyethane;2-phenylethylbenzene (PubChem CID 66689331) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1,1-diethoxyethane;2-phenylethylbenzene.

Molecular Properties

Compound Name1,1-diethoxyethane;2-phenylethylbenzene
PubChem CID66689331
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name1,1-diethoxyethane;2-phenylethylbenzene
SMILESCCOC(C)OCC.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C6H14O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-4-7-6(3)8-5-2/h1-10H,11-12H2;6H,4-5H2,1-3H3
InChIKeyCZDQGRGYVBYLHA-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.88
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

ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
1,1-diethoxyethane
CID 7765
benzene;2-phenylethylbenzene
CID 18982764
1,1-diethoxyethane;2-phenylacetaldehyde;propane-1,2,3-triol
CID 87067731
1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine
CID 23224540
ethane;methane;2-phenylethylbenzene
CID 158652330
3,4-dimethylhexylbenzene
CID 72602417
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
1-propoxyethoxymethylbenzene
CID 141304441
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;2-phenylethylbenzene?
The IUPAC name of 1,1-diethoxyethane;2-phenylethylbenzene (CID 66689331) is 1,1-diethoxyethane;2-phenylethylbenzene.
What is the SMILES notation for 1,1-diethoxyethane;2-phenylethylbenzene?
The canonical SMILES for 1,1-diethoxyethane;2-phenylethylbenzene is CCOC(C)OCC.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1,1-diethoxyethane;2-phenylethylbenzene?
The InChIKey is CZDQGRGYVBYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C6H14O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-4-7-6(3)8-5-2/h1-10H,11-12H2;6H,4-5H2,1-3H3.
What are the key properties of 1,1-diethoxyethane;2-phenylethylbenzene?
1,1-diethoxyethane;2-phenylethylbenzene has a molecular weight of 300.44 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;2-phenylethylbenzene is sourced from PubChem (CID 66689331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).