6,6-diethoxy-1-phenylhexan-1-one

C16H24O3 — CID 141451964

IUPAC6,6-diethoxy-1-phenylhexan-1-one
SMILESCCOC(CCCCC(=O)c1ccccc1)OCC
InChIInChI=1S/C16H24O3/c1-3-18-16(19-4-2)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-11,16H,3-4,8-9,12-13H2,1-2H3
InChIKeyYSWHHEGOIZHDMZ-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.83
Rot. Bonds10

About 6,6-diethoxy-1-phenylhexan-1-one

6,6-diethoxy-1-phenylhexan-1-one (PubChem CID 141451964) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 6,6-diethoxy-1-phenylhexan-1-one.

Molecular Properties

Compound Name6,6-diethoxy-1-phenylhexan-1-one
PubChem CID141451964
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name6,6-diethoxy-1-phenylhexan-1-one
SMILESCCOC(CCCCC(=O)c1ccccc1)OCC
InChIInChI=1S/C16H24O3/c1-3-18-16(19-4-2)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-11,16H,3-4,8-9,12-13H2,1-2H3
InChIKeyYSWHHEGOIZHDMZ-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.83
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'}

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Related Compounds

6-methyl-1-phenylheptan-1-one
CID 64505975
18-methyl-1-phenylnonadecan-1-one
CID 141198244
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylheptadecan-1-one
CID 577626
6,6-diethoxyhexanoic acid;indigane
CID 175089271
2-methyl-7-oxo-7-phenylheptanamide
CID 141075090
ethane;1-phenylpentan-1-one
CID 143728184
1-phenylheptane-1,6-dione
CID 11333176
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519

Frequently Asked Questions

What is the IUPAC name of 6,6-diethoxy-1-phenylhexan-1-one?
The IUPAC name of 6,6-diethoxy-1-phenylhexan-1-one (CID 141451964) is 6,6-diethoxy-1-phenylhexan-1-one.
What is the SMILES notation for 6,6-diethoxy-1-phenylhexan-1-one?
The canonical SMILES for 6,6-diethoxy-1-phenylhexan-1-one is CCOC(CCCCC(=O)c1ccccc1)OCC.
What is the InChIKey of 6,6-diethoxy-1-phenylhexan-1-one?
The InChIKey is YSWHHEGOIZHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-16(19-4-2)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-7,10-11,16H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 6,6-diethoxy-1-phenylhexan-1-one?
6,6-diethoxy-1-phenylhexan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethoxy-1-phenylhexan-1-one is sourced from PubChem (CID 141451964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).