2-(2-chloroethyl)decanal

C12H23ClO — CID 175197412

IUPAC2-(2-chloroethyl)decanal
SMILESCCCCCCCCC(C=O)CCCl
InChIInChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-12(11-14)9-10-13/h11-12H,2-10H2,1H3
InChIKeyAQKAGCUQFHDYEG-UHFFFAOYSA-N
MW218.77 g/mol
LogP4.18
Rot. Bonds10

About 2-(2-chloroethyl)decanal

2-(2-chloroethyl)decanal (PubChem CID 175197412) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)decanal.

Molecular Properties

Compound Name2-(2-chloroethyl)decanal
PubChem CID175197412
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name2-(2-chloroethyl)decanal
SMILESCCCCCCCCC(C=O)CCCl
InChIInChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-12(11-14)9-10-13/h11-12H,2-10H2,1H3
InChIKeyAQKAGCUQFHDYEG-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chlorohexyl)dodecanal
CID 175197438
2-(2-chloroethyl)pentanal
CID 175205251
2-ethylheptadecanal
CID 18629573
2-undecylpentadecanedial
CID 91207185
2-(2-aminoethyl)heptanal
CID 163417417
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
2-prop-2-enyloctadecanal
CID 173235739
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
5-chloro-2-ethylpentanal
CID 13118181
2-undecylpropanedial
CID 20505732
2-(2-oxopropyl)heptanal
CID 10442122

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)decanal?
The IUPAC name of 2-(2-chloroethyl)decanal (CID 175197412) is 2-(2-chloroethyl)decanal.
What is the SMILES notation for 2-(2-chloroethyl)decanal?
The canonical SMILES for 2-(2-chloroethyl)decanal is CCCCCCCCC(C=O)CCCl.
What is the InChIKey of 2-(2-chloroethyl)decanal?
The InChIKey is AQKAGCUQFHDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-12(11-14)9-10-13/h11-12H,2-10H2,1H3.
What are the key properties of 2-(2-chloroethyl)decanal?
2-(2-chloroethyl)decanal has a molecular weight of 218.77 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)decanal is sourced from PubChem (CID 175197412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).