4-(oxan-4-ylsulfanyl)pentan-2-one

C10H18O2S — CID 64728070

IUPAC4-(oxan-4-ylsulfanyl)pentan-2-one
SMILESCC(=O)CC(C)SC1CCOCC1
InChIInChI=1S/C10H18O2S/c1-8(11)7-9(2)13-10-3-5-12-6-4-10/h9-10H,3-7H2,1-2H3
InChIKeyRKASKKDTFUWIKB-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.27
Rot. Bonds4

About 4-(oxan-4-ylsulfanyl)pentan-2-one

4-(oxan-4-ylsulfanyl)pentan-2-one (PubChem CID 64728070) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)pentan-2-one.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)pentan-2-one
PubChem CID64728070
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name4-(oxan-4-ylsulfanyl)pentan-2-one
SMILESCC(=O)CC(C)SC1CCOCC1
InChIInChI=1S/C10H18O2S/c1-8(11)7-9(2)13-10-3-5-12-6-4-10/h9-10H,3-7H2,1-2H3
InChIKeyRKASKKDTFUWIKB-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)pentan-2-one?
The IUPAC name of 4-(oxan-4-ylsulfanyl)pentan-2-one (CID 64728070) is 4-(oxan-4-ylsulfanyl)pentan-2-one.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)pentan-2-one?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)pentan-2-one is CC(=O)CC(C)SC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)pentan-2-one?
The InChIKey is RKASKKDTFUWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-8(11)7-9(2)13-10-3-5-12-6-4-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 4-(oxan-4-ylsulfanyl)pentan-2-one?
4-(oxan-4-ylsulfanyl)pentan-2-one has a molecular weight of 202.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)pentan-2-one is sourced from PubChem (CID 64728070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).