1-cyclobutyl-3-propylsulfanylpropan-2-one

C10H18OS — CID 65458344

IUPAC1-cyclobutyl-3-propylsulfanylpropan-2-one
SMILESCCCSCC(=O)CC1CCC1
InChIInChI=1S/C10H18OS/c1-2-6-12-8-10(11)7-9-4-3-5-9/h9H,2-8H2,1H3
InChIKeyTZVMWMZPJJGYNR-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.89
Rot. Bonds6

About 1-cyclobutyl-3-propylsulfanylpropan-2-one

1-cyclobutyl-3-propylsulfanylpropan-2-one (PubChem CID 65458344) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-propylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-propylsulfanylpropan-2-one
PubChem CID65458344
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-cyclobutyl-3-propylsulfanylpropan-2-one
SMILESCCCSCC(=O)CC1CCC1
InChIInChI=1S/C10H18OS/c1-2-6-12-8-10(11)7-9-4-3-5-9/h9H,2-8H2,1H3
InChIKeyTZVMWMZPJJGYNR-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-propylsulfanylethanone
CID 63907545
1-cyclopentylundecan-2-one
CID 114966416
1-cyclopentylheptadecan-2-one
CID 142770613
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95201029
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
CID 119374422
1-cyclobutyl-4-(diethylamino)butan-2-one
CID 79078090
1-butan-2-ylsulfanyl-3-cyclopropylpropan-2-one
CID 65136455
1-cyclohexylnonan-2-one
CID 22768059
1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 87011135
1-cyclobutyl-4-(dimethylamino)butan-2-one
CID 115345748
ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-propylsulfanylpropan-2-one?
The IUPAC name of 1-cyclobutyl-3-propylsulfanylpropan-2-one (CID 65458344) is 1-cyclobutyl-3-propylsulfanylpropan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-propylsulfanylpropan-2-one?
The canonical SMILES for 1-cyclobutyl-3-propylsulfanylpropan-2-one is CCCSCC(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-propylsulfanylpropan-2-one?
The InChIKey is TZVMWMZPJJGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-6-12-8-10(11)7-9-4-3-5-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-3-propylsulfanylpropan-2-one?
1-cyclobutyl-3-propylsulfanylpropan-2-one has a molecular weight of 186.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-propylsulfanylpropan-2-one is sourced from PubChem (CID 65458344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).