1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one

Name: 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₈O₄S — CID 115646806

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one

SMILESCS(=O)(=O)CC(=O)CCCC1CCCO1

InChIInChI=1S/C10H18O4S/c1-15(12,13)8-9(11)4-2-5-10-6-3-7-14-10/h10H,2-8H2,1H3

InChIKeyKWTDUKVHUGRZQY-UHFFFAOYSA-N

MW234.32 g/mol

LogP0.95

Rot. Bonds6

About 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one

1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one (PubChem CID 115646806) has the molecular formula C₁₀H₁₈O₄S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name	1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
PubChem CID	115646806
Molecular Formula	C₁₀H₁₈O₄S
Molecular Weight	234.32 g/mol
Exact Mass	234.09
IUPAC Name	1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
SMILES	CS(=O)(=O)CC(=O)CCCC1CCCO1
InChI	InChI=1S/C10H18O4S/c1-15(12,13)8-9(11)4-2-5-10-6-3-7-14-10/h10H,2-8H2,1H3
InChIKey	KWTDUKVHUGRZQY-UHFFFAOYSA-N
XLogP	0.95
TPSA	60.44 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.32
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one?

The IUPAC name of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one (CID 115646806) is 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one.

What is the SMILES notation for 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one?

The canonical SMILES for 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one is CS(=O)(=O)CC(=O)CCCC1CCCO1.

What is the InChIKey of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one?

The InChIKey is KWTDUKVHUGRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-15(12,13)8-9(11)4-2-5-10-6-3-7-14-10/h10H,2-8H2,1H3.

What are the key properties of 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one?

1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 234.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 115646806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115646806 — identifiers, structure, computed properties (public domain)

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