formyl chloride;1,3,5-triethylbenzene

C13H19ClO — CID 159946693

IUPACformyl chloride;1,3,5-triethylbenzene
SMILESCCc1cc(CC)cc(CC)c1.O=CCl
InChIInChI=1S/C12H18.CHClO/c1-4-10-7-11(5-2)9-12(6-3)8-10;2-1-3/h7-9H,4-6H2,1-3H3;1H
InChIKeyOBORVQWFGKFKTP-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.79
Rot. Bonds3

About formyl chloride;1,3,5-triethylbenzene

formyl chloride;1,3,5-triethylbenzene (PubChem CID 159946693) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is formyl chloride;1,3,5-triethylbenzene.

Molecular Properties

Compound Nameformyl chloride;1,3,5-triethylbenzene
PubChem CID159946693
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Nameformyl chloride;1,3,5-triethylbenzene
SMILESCCc1cc(CC)cc(CC)c1.O=CCl
InChIInChI=1S/C12H18.CHClO/c1-4-10-7-11(5-2)9-12(6-3)8-10;2-1-3/h7-9H,4-6H2,1-3H3;1H
InChIKeyOBORVQWFGKFKTP-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,5-Diethyltoluene
CID 16302
1,3,5-Triethylbenzene
CID 7602
Benzene, m-dibutyl-
CID 204985
1,3-Dipropylbenzene
CID 519365
1-Butyl-3,5-dimethylbenzene
CID 528693
1-Butyl-3-methylbenzene
CID 15327
3-Ethylpropylbenzene
CID 177104
1,3-Dimethyl-5-propylbenzene
CID 520962
1-Butyl-3-ethylbenzene
CID 528689
1,3,5-Tributylbenzene
CID 522808
1-Methyl-3-hexylbenzene
CID 571731
Formaldehyde--toluene (1/1)
CID 168314

Frequently Asked Questions

What is the IUPAC name of formyl chloride;1,3,5-triethylbenzene?
The IUPAC name of formyl chloride;1,3,5-triethylbenzene (CID 159946693) is formyl chloride;1,3,5-triethylbenzene.
What is the SMILES notation for formyl chloride;1,3,5-triethylbenzene?
The canonical SMILES for formyl chloride;1,3,5-triethylbenzene is CCc1cc(CC)cc(CC)c1.O=CCl.
What is the InChIKey of formyl chloride;1,3,5-triethylbenzene?
The InChIKey is OBORVQWFGKFKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.CHClO/c1-4-10-7-11(5-2)9-12(6-3)8-10;2-1-3/h7-9H,4-6H2,1-3H3;1H.
What are the key properties of formyl chloride;1,3,5-triethylbenzene?
formyl chloride;1,3,5-triethylbenzene has a molecular weight of 226.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;1,3,5-triethylbenzene is sourced from PubChem (CID 159946693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).