4-(2-methylbutylsulfanyl)pentan-2-one

C10H20OS — CID 107752689

IUPAC4-(2-methylbutylsulfanyl)pentan-2-one
SMILESCCC(C)CSC(C)CC(C)=O
InChIInChI=1S/C10H20OS/c1-5-8(2)7-12-10(4)6-9(3)11/h8,10H,5-7H2,1-4H3
InChIKeyCADYVDGDTSZAHF-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.13
Rot. Bonds6

About 4-(2-methylbutylsulfanyl)pentan-2-one

4-(2-methylbutylsulfanyl)pentan-2-one (PubChem CID 107752689) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-(2-methylbutylsulfanyl)pentan-2-one.

Molecular Properties

Compound Name4-(2-methylbutylsulfanyl)pentan-2-one
PubChem CID107752689
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-(2-methylbutylsulfanyl)pentan-2-one
SMILESCCC(C)CSC(C)CC(C)=O
InChIInChI=1S/C10H20OS/c1-5-8(2)7-12-10(4)6-9(3)11/h8,10H,5-7H2,1-4H3
InChIKeyCADYVDGDTSZAHF-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(butan-2-yldisulfanyl)pentan-2-one
CID 162715141
4,7-dimethylnonan-2-one
CID 87291820
(4R,6R)-4,6-dimethyloctan-2-one
CID 15199451
4-propan-2-ylsulfanylpentan-2-one
CID 64726666
4-(3-methylbutan-2-ylsulfanyl)pentan-2-one
CID 107752586
tert-butyl 2-(2-methylbutylsulfanyl)propanoate
CID 103749760
methyl 3-(2-hydroxybutylsulfanyl)butanoate
CID 66114620
3-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66226073
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
4-methylpentan-2-one;propane
CID 22138072
carbonic acid;3-methylpentane
CID 173481374
2-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761035

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutylsulfanyl)pentan-2-one?
The IUPAC name of 4-(2-methylbutylsulfanyl)pentan-2-one (CID 107752689) is 4-(2-methylbutylsulfanyl)pentan-2-one.
What is the SMILES notation for 4-(2-methylbutylsulfanyl)pentan-2-one?
The canonical SMILES for 4-(2-methylbutylsulfanyl)pentan-2-one is CCC(C)CSC(C)CC(C)=O.
What is the InChIKey of 4-(2-methylbutylsulfanyl)pentan-2-one?
The InChIKey is CADYVDGDTSZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-8(2)7-12-10(4)6-9(3)11/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-(2-methylbutylsulfanyl)pentan-2-one?
4-(2-methylbutylsulfanyl)pentan-2-one has a molecular weight of 188.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutylsulfanyl)pentan-2-one is sourced from PubChem (CID 107752689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).