6-(thiolan-3-yl)hexan-2-one

C10H18OS — CID 91581378

IUPAC6-(thiolan-3-yl)hexan-2-one
SMILESCC(=O)CCCCC1CCSC1
InChIInChI=1S/C10H18OS/c1-9(11)4-2-3-5-10-6-7-12-8-10/h10H,2-8H2,1H3
InChIKeyUWYMSHLLQIIABS-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.89
Rot. Bonds5

About 6-(thiolan-3-yl)hexan-2-one

6-(thiolan-3-yl)hexan-2-one (PubChem CID 91581378) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 6-(thiolan-3-yl)hexan-2-one.

Molecular Properties

Compound Name6-(thiolan-3-yl)hexan-2-one
PubChem CID91581378
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name6-(thiolan-3-yl)hexan-2-one
SMILESCC(=O)CCCCC1CCSC1
InChIInChI=1S/C10H18OS/c1-9(11)4-2-3-5-10-6-7-12-8-10/h10H,2-8H2,1H3
InChIKeyUWYMSHLLQIIABS-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(thiolan-3-yl)propan-2-one
CID 82651393
5-cyclopentylpentan-2-one
CID 18433881
thiolan-3-ylmethyl acetate
CID 130652151
6-[(2S,4R)-4-aminothiolan-2-yl]hexan-2-one
CID 163416224
5-(thiolan-3-ylmethylamino)pentanoic acid
CID 107296968
3-(2-methylprop-2-enyl)thiolane
CID 89152874
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
6-(2-methyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)hexan-2-one
CID 123811957
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
5-(thiolan-2-yl)pentan-2-one
CID 59028149
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270

Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-3-yl)hexan-2-one?
The IUPAC name of 6-(thiolan-3-yl)hexan-2-one (CID 91581378) is 6-(thiolan-3-yl)hexan-2-one.
What is the SMILES notation for 6-(thiolan-3-yl)hexan-2-one?
The canonical SMILES for 6-(thiolan-3-yl)hexan-2-one is CC(=O)CCCCC1CCSC1.
What is the InChIKey of 6-(thiolan-3-yl)hexan-2-one?
The InChIKey is UWYMSHLLQIIABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(11)4-2-3-5-10-6-7-12-8-10/h10H,2-8H2,1H3.
What are the key properties of 6-(thiolan-3-yl)hexan-2-one?
6-(thiolan-3-yl)hexan-2-one has a molecular weight of 186.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-3-yl)hexan-2-one is sourced from PubChem (CID 91581378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).