1-cyclopropyl-5-methylsulfanylpentan-3-one

C9H16OS — CID 105107955

IUPAC1-cyclopropyl-5-methylsulfanylpentan-3-one
SMILESCSCCC(=O)CCC1CC1
InChIInChI=1S/C9H16OS/c1-11-7-6-9(10)5-4-8-2-3-8/h8H,2-7H2,1H3
InChIKeyYBGYZRIXQMBMGQ-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclopropyl-5-methylsulfanylpentan-3-one

1-cyclopropyl-5-methylsulfanylpentan-3-one (PubChem CID 105107955) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-cyclopropyl-5-methylsulfanylpentan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-5-methylsulfanylpentan-3-one
PubChem CID105107955
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name1-cyclopropyl-5-methylsulfanylpentan-3-one
SMILESCSCCC(=O)CCC1CC1
InChIInChI=1S/C9H16OS/c1-11-7-6-9(10)5-4-8-2-3-8/h8H,2-7H2,1H3
InChIKeyYBGYZRIXQMBMGQ-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
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1-(oxan-4-yl)hexan-3-one
CID 62385519
1-(4-propan-2-ylcyclohexyl)pentan-3-one
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sodium 4-methylsulfanyl-2-oxobutan-1-olate
CID 87390153
1-methylsulfanyltridecan-3-one
CID 105091587
1-cyclopentylpentadecan-3-one
CID 114969105
3-cyclopropylpropanamide
CID 53414720
3-cyclopropylpropanethioic S-acid
CID 57066246
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CID 116577998

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methylsulfanylpentan-3-one?
The IUPAC name of 1-cyclopropyl-5-methylsulfanylpentan-3-one (CID 105107955) is 1-cyclopropyl-5-methylsulfanylpentan-3-one.
What is the SMILES notation for 1-cyclopropyl-5-methylsulfanylpentan-3-one?
The canonical SMILES for 1-cyclopropyl-5-methylsulfanylpentan-3-one is CSCCC(=O)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-5-methylsulfanylpentan-3-one?
The InChIKey is YBGYZRIXQMBMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-11-7-6-9(10)5-4-8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-5-methylsulfanylpentan-3-one?
1-cyclopropyl-5-methylsulfanylpentan-3-one has a molecular weight of 172.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methylsulfanylpentan-3-one is sourced from PubChem (CID 105107955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).