2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane

C13H26O5S — CID 59082517

IUPAC2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCSCC1COCCOCCOCCOCCO1
InChIInChI=1S/C13H26O5S/c1-2-19-12-13-11-17-8-7-15-4-3-14-5-6-16-9-10-18-13/h13H,2-12H2,1H3
InChIKeyRYZULSDHKUQXPX-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.20
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane

2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 59082517) has the molecular formula C13H26O5S and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID59082517
Molecular FormulaC13H26O5S
Molecular Weight294.41 g/mol
Exact Mass294.15
IUPAC Name2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCSCC1COCCOCCOCCOCCO1
InChIInChI=1S/C13H26O5S/c1-2-19-12-13-11-17-8-7-15-4-3-14-5-6-16-9-10-18-13/h13H,2-12H2,1H3
InChIKeyRYZULSDHKUQXPX-UHFFFAOYSA-N
XLogP1.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 20834289
1,4,7,10-Tetraoxa-13,17-dithiacyclononadecane
CID 12250836
1,4,7,10-Tetraoxa-13,17-dithiacyclononadecan-15-ol
CID 12250837
1,4,7,10,13-Pentaoxa-16,20-dithiacyclodocosan-18-ol
CID 12250840
1,4,7-Trioxa-10,14-dithiacyclohexadecan-12-ol
CID 101420408
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]butane
CID 139212637
2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol
CID 5748726
1-(Butylthio)-3-isopropoxy-2-propanol
CID 5339010
3,9-Dioxa-6-thiaundecane, 2,10-dimethyl-
CID 537511
1,4,7,10-Tetraoxa-14-thiacycloheptadecane-12,16-diol
CID 13586496
8-Methyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932813
(2-Acetyloxy-3-ethylsulfanylpropyl) acetate
CID 14870570

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane (CID 59082517) is 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane is CCSCC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is RYZULSDHKUQXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5S/c1-2-19-12-13-11-17-8-7-15-4-3-14-5-6-16-9-10-18-13/h13H,2-12H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 294.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 59082517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).