8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol

C10H18O2S2 — CID 10823613

IUPAC8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
SMILESCCC1CC2(CC(O)O1)SCCCS2
InChIInChI=1S/C10H18O2S2/c1-2-8-6-10(7-9(11)12-8)13-4-3-5-14-10/h8-9,11H,2-7H2,1H3
InChIKeyYKJVYIXWDGDURW-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.46
Rot. Bonds1

About 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol

8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol (PubChem CID 10823613) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
PubChem CID10823613
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
SMILESCCC1CC2(CC(O)O1)SCCCS2
InChIInChI=1S/C10H18O2S2/c1-2-8-6-10(7-9(11)12-8)13-4-3-5-14-10/h8-9,11H,2-7H2,1H3
InChIKeyYKJVYIXWDGDURW-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57186475
1-[2-[10-(Oxan-2-yloxy)decyl]-1,3-dithian-2-yl]propan-2-ol
CID 15685600
1,3-Dithiane, 2-(3-hydroxybutyl)-2-[3-(1-ethoxyethoxy)propyl]-
CID 588566
1,3-Dithiane, 2-(3-hydroxypentyl)-2-[3-(1-ethoxyethoxy)propyl)]-
CID 593791
1-C-(1,3-dithian-2-yl)-D-glucopyranose
CID 54279519
(9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-ol
CID 9990579
(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
CID 10537811
(3R)-4-[(2S,6S,8R,10S)-4,4-bis(ethylsulfanyl)-10-hydroxy-8-(2-hydroxyethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]butane-1,3-diol
CID 11212433
2-[2-(Methylsulfanyl)-1,3-dithian-2-yl]oxan-2-ol
CID 14295443
2-(1,3-Dithian-2-yl)oxan-2-ol
CID 14295444
(3R)-3-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]butan-2-ol
CID 71714030
[(8S,10R)-10-(dimethoxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]methanol
CID 101197358

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
The IUPAC name of 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol (CID 10823613) is 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol.
What is the SMILES notation for 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
The canonical SMILES for 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol is CCC1CC2(CC(O)O1)SCCCS2.
What is the InChIKey of 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
The InChIKey is YKJVYIXWDGDURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-2-8-6-10(7-9(11)12-8)13-4-3-5-14-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol?
8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol has a molecular weight of 234.39 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 10823613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).