1-chloro-6-ethyldecan-4-one

C12H23ClO — CID 66044680

IUPAC1-chloro-6-ethyldecan-4-one
SMILESCCCCC(CC)CC(=O)CCCCl
InChIInChI=1S/C12H23ClO/c1-3-5-7-11(4-2)10-12(14)8-6-9-13/h11H,3-10H2,1-2H3
InChIKeyVZACKGZTCNXYOL-UHFFFAOYSA-N
MW218.77 g/mol
LogP4.18
Rot. Bonds9

About 1-chloro-6-ethyldecan-4-one

1-chloro-6-ethyldecan-4-one (PubChem CID 66044680) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 1-chloro-6-ethyldecan-4-one.

Molecular Properties

Compound Name1-chloro-6-ethyldecan-4-one
PubChem CID66044680
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name1-chloro-6-ethyldecan-4-one
SMILESCCCCC(CC)CC(=O)CCCCl
InChIInChI=1S/C12H23ClO/c1-3-5-7-11(4-2)10-12(14)8-6-9-13/h11H,3-10H2,1-2H3
InChIKeyVZACKGZTCNXYOL-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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6-ethyl-2,2-dimethyldecan-4-one
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CID 159696376
5-ethyl-1-pyridin-4-ylnonan-3-one
CID 105081987
3-ethylheptaneperoxoic acid
CID 54542102
9-(bromomethyl)pentacosan-7-one
CID 57284999
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-ethyldecan-4-one?
The IUPAC name of 1-chloro-6-ethyldecan-4-one (CID 66044680) is 1-chloro-6-ethyldecan-4-one.
What is the SMILES notation for 1-chloro-6-ethyldecan-4-one?
The canonical SMILES for 1-chloro-6-ethyldecan-4-one is CCCCC(CC)CC(=O)CCCCl.
What is the InChIKey of 1-chloro-6-ethyldecan-4-one?
The InChIKey is VZACKGZTCNXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-3-5-7-11(4-2)10-12(14)8-6-9-13/h11H,3-10H2,1-2H3.
What are the key properties of 1-chloro-6-ethyldecan-4-one?
1-chloro-6-ethyldecan-4-one has a molecular weight of 218.77 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-ethyldecan-4-one is sourced from PubChem (CID 66044680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).