1,5-dithiaspiro[5.5]undecan-3-ol

C9H16OS2 — CID 22891774

IUPAC1,5-dithiaspiro[5.5]undecan-3-ol
SMILESOC1CSC2(CCCCC2)SC1
InChIInChI=1S/C9H16OS2/c10-8-6-11-9(12-7-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyVFHWAYNNNASFAM-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.49
Rot. Bonds

About 1,5-dithiaspiro[5.5]undecan-3-ol

1,5-dithiaspiro[5.5]undecan-3-ol (PubChem CID 22891774) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name1,5-dithiaspiro[5.5]undecan-3-ol
PubChem CID22891774
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name1,5-dithiaspiro[5.5]undecan-3-ol
SMILESOC1CSC2(CCCCC2)SC1
InChIInChI=1S/C9H16OS2/c10-8-6-11-9(12-7-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyVFHWAYNNNASFAM-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-7-azadispiro[5.1.58.36]hexadecan-15-ol
CID 59426567
1,2,6,7,11,12,16,17-octathiacycloicosane-4,9,14,19-tetrol
CID 102163953
dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol
CID 14715133
(3aR,7R,8aR)-spiro[3a,4,6,7,8,8a-hexahydrothiepino[3,4-d][1,3]dioxole-2,1'-cyclohexane]-7-ol
CID 24740902
spiro[4.5]decane-2,3-diol
CID 12530979
1-(hydroxymethyl)cyclooctane-1,5-diol
CID 11816153
(8R,10R)-1,5-dithiaspiro[5.5]undecane-8,10-diol
CID 132562581
(2S,4S,6S)-2-prop-2-enyl-1,7-dithiaspiro[5.5]undecan-4-ol
CID 10243572
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10058665

Frequently Asked Questions

What is the IUPAC name of 1,5-dithiaspiro[5.5]undecan-3-ol?
The IUPAC name of 1,5-dithiaspiro[5.5]undecan-3-ol (CID 22891774) is 1,5-dithiaspiro[5.5]undecan-3-ol.
What is the SMILES notation for 1,5-dithiaspiro[5.5]undecan-3-ol?
The canonical SMILES for 1,5-dithiaspiro[5.5]undecan-3-ol is OC1CSC2(CCCCC2)SC1.
What is the InChIKey of 1,5-dithiaspiro[5.5]undecan-3-ol?
The InChIKey is VFHWAYNNNASFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS2/c10-8-6-11-9(12-7-8)4-2-1-3-5-9/h8,10H,1-7H2.
What are the key properties of 1,5-dithiaspiro[5.5]undecan-3-ol?
1,5-dithiaspiro[5.5]undecan-3-ol has a molecular weight of 204.36 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dithiaspiro[5.5]undecan-3-ol is sourced from PubChem (CID 22891774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).