2-propyl-3-(2-propylthiolan-3-yl)oxythiolane

C14H26OS2 — CID 90401479

IUPAC2-propyl-3-(2-propylthiolan-3-yl)oxythiolane
SMILESCCCC1SCCC1OC1CCSC1CCC
InChIInChI=1S/C14H26OS2/c1-3-5-13-11(7-9-16-13)15-12-8-10-17-14(12)6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyBPRMITVTXDYFFM-UHFFFAOYSA-N
MW274.49 g/mol
LogP4.35
Rot. Bonds6

About 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane

2-propyl-3-(2-propylthiolan-3-yl)oxythiolane (PubChem CID 90401479) has the molecular formula C14H26OS2 and a molecular weight of 274.49 g/mol. Its IUPAC name is 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane.

Molecular Properties

Compound Name2-propyl-3-(2-propylthiolan-3-yl)oxythiolane
PubChem CID90401479
Molecular FormulaC14H26OS2
Molecular Weight274.49 g/mol
Exact Mass274.14
IUPAC Name2-propyl-3-(2-propylthiolan-3-yl)oxythiolane
SMILESCCCC1SCCC1OC1CCSC1CCC
InChIInChI=1S/C14H26OS2/c1-3-5-13-11(7-9-16-13)15-12-8-10-17-14(12)6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyBPRMITVTXDYFFM-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2,3-dipropyl-1,4-dithiane
CID 643418
2-(2-methylpropyl)-3-[2-(2-methylpropyl)thiolan-3-yl]oxythiolane
CID 90401529
(2S,3S)-2-propylthiolan-3-ol
CID 10419326
(2R,3R)-2-ethyl-3-methoxythiolane
CID 54356411
2-butylthietane
CID 102085907
(2S,3S)-3-methoxy-2-methylthiolane
CID 54477209
2-nonylthietane
CID 21487379
2-pent-1-enyl-6-propyl-1,3-oxathiane
CID 174913497
(3aS,7aR)-4-pentyl-3,3a,4,6,7,7a-hexahydro-2H-thiopyrano[4,3-b]furan
CID 102333847
3-hexoxythiolane-2-carboxylic acid
CID 18953096
2-(4-propylthian-2-yl)acetonitrile
CID 83980384
3-(2-methylpentanoyloxy)thiolane-2-carboxylic acid
CID 18952920

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane?
The IUPAC name of 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane (CID 90401479) is 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane.
What is the SMILES notation for 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane?
The canonical SMILES for 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane is CCCC1SCCC1OC1CCSC1CCC.
What is the InChIKey of 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane?
The InChIKey is BPRMITVTXDYFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS2/c1-3-5-13-11(7-9-16-13)15-12-8-10-17-14(12)6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane?
2-propyl-3-(2-propylthiolan-3-yl)oxythiolane has a molecular weight of 274.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(2-propylthiolan-3-yl)oxythiolane is sourced from PubChem (CID 90401479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).