decan-3-one;hydrochloride

C10H21ClO — CID 22446547

IUPACdecan-3-one;hydrochloride
SMILESCCCCCCCC(=O)CC.Cl
InChIInChI=1S/C10H20O.ClH/c1-3-5-6-7-8-9-10(11)4-2;/h3-9H2,1-2H3;1H
InChIKeyXGVAVYFUTNYHMY-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.75
Rot. Bonds7

About decan-3-one;hydrochloride

decan-3-one;hydrochloride (PubChem CID 22446547) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is decan-3-one;hydrochloride.

Molecular Properties

Compound Namedecan-3-one;hydrochloride
PubChem CID22446547
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Namedecan-3-one;hydrochloride
SMILESCCCCCCCC(=O)CC.Cl
InChIInChI=1S/C10H20O.ClH/c1-3-5-6-7-8-9-10(11)4-2;/h3-9H2,1-2H3;1H
InChIKeyXGVAVYFUTNYHMY-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
methane;undecane-3,9-dione
CID 158816586
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of decan-3-one;hydrochloride?
The IUPAC name of decan-3-one;hydrochloride (CID 22446547) is decan-3-one;hydrochloride.
What is the SMILES notation for decan-3-one;hydrochloride?
The canonical SMILES for decan-3-one;hydrochloride is CCCCCCCC(=O)CC.Cl.
What is the InChIKey of decan-3-one;hydrochloride?
The InChIKey is XGVAVYFUTNYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.ClH/c1-3-5-6-7-8-9-10(11)4-2;/h3-9H2,1-2H3;1H.
What are the key properties of decan-3-one;hydrochloride?
decan-3-one;hydrochloride has a molecular weight of 192.73 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-3-one;hydrochloride is sourced from PubChem (CID 22446547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).