(5R)-5-hexyloxolane-2-thione

C10H18OS — CID 11953374

IUPAC(5R)-5-hexyloxolane-2-thione
SMILESCCCCCC[C@@H]1CCC(=S)O1
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-9-7-8-10(12)11-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyCKNOALIUNQWQNB-SECBINFHSA-N
MW186.32 g/mol
LogP3.46
Rot. Bonds5

About (5R)-5-hexyloxolane-2-thione

(5R)-5-hexyloxolane-2-thione (PubChem CID 11953374) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (5R)-5-hexyloxolane-2-thione.

Molecular Properties

Compound Name(5R)-5-hexyloxolane-2-thione
PubChem CID11953374
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(5R)-5-hexyloxolane-2-thione
SMILESCCCCCC[C@@H]1CCC(=S)O1
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-9-7-8-10(12)11-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyCKNOALIUNQWQNB-SECBINFHSA-N
XLogP3.46
TPSA9.23 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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-heptyloxane-2-thione
CID 91750118
7-hexyloxepane-2-thione
CID 134893057
(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821
(5S)-5-pentacosyloxolan-2-one
CID 11102176
6-undecyloxane-2,3-dione
CID 90743171
6-icosyloxan-2-one
CID 100966702
(5S)-5-tetradec-5-ynyloxolan-2-one
CID 171341399
(5R)-5-butyloxolan-2-one
CID 7057971
8-octyloxocan-2-one
CID 90108064
5-hexyl-1,3-oxathiolane-2-thione
CID 10081655
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hexyloxolane-2-thione?
The IUPAC name of (5R)-5-hexyloxolane-2-thione (CID 11953374) is (5R)-5-hexyloxolane-2-thione.
What is the SMILES notation for (5R)-5-hexyloxolane-2-thione?
The canonical SMILES for (5R)-5-hexyloxolane-2-thione is CCCCCC[C@@H]1CCC(=S)O1.
What is the InChIKey of (5R)-5-hexyloxolane-2-thione?
The InChIKey is CKNOALIUNQWQNB-SECBINFHSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-5-6-9-7-8-10(12)11-9/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-5-hexyloxolane-2-thione?
(5R)-5-hexyloxolane-2-thione has a molecular weight of 186.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hexyloxolane-2-thione is sourced from PubChem (CID 11953374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).