2,4-dipentyl-1,3-oxathiolane

C13H26OS — CID 67811965

IUPAC2,4-dipentyl-1,3-oxathiolane
SMILESCCCCCC1COC(CCCCC)S1
InChIInChI=1S/C13H26OS/c1-3-5-7-9-12-11-14-13(15-12)10-8-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyOSHHFMWPFDYZOH-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.61
Rot. Bonds8

About 2,4-dipentyl-1,3-oxathiolane

2,4-dipentyl-1,3-oxathiolane (PubChem CID 67811965) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,4-dipentyl-1,3-oxathiolane.

Molecular Properties

Compound Name2,4-dipentyl-1,3-oxathiolane
PubChem CID67811965
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name2,4-dipentyl-1,3-oxathiolane
SMILESCCCCCC1COC(CCCCC)S1
InChIInChI=1S/C13H26OS/c1-3-5-7-9-12-11-14-13(15-12)10-8-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyOSHHFMWPFDYZOH-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.61
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

(2S,4S)-2-pentyl-4-propyl-1,3-oxathiane
CID 76968751
(2R)-2-pentyloxirane
CID 11147691
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R,4R)-2-methyl-4-propyl-1,3-oxathiolane
CID 175373121
2,5-dibutyl-1,4-oxathiane
CID 19349494
5-pentyl-1,3-oxazolidine
CID 67960435

Frequently Asked Questions

What is the IUPAC name of 2,4-dipentyl-1,3-oxathiolane?
The IUPAC name of 2,4-dipentyl-1,3-oxathiolane (CID 67811965) is 2,4-dipentyl-1,3-oxathiolane.
What is the SMILES notation for 2,4-dipentyl-1,3-oxathiolane?
The canonical SMILES for 2,4-dipentyl-1,3-oxathiolane is CCCCCC1COC(CCCCC)S1.
What is the InChIKey of 2,4-dipentyl-1,3-oxathiolane?
The InChIKey is OSHHFMWPFDYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-3-5-7-9-12-11-14-13(15-12)10-8-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2,4-dipentyl-1,3-oxathiolane?
2,4-dipentyl-1,3-oxathiolane has a molecular weight of 230.42 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipentyl-1,3-oxathiolane is sourced from PubChem (CID 67811965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).