1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol

C10H16OS2 — CID 163456874

IUPAC1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol
SMILESCC(O)[C@H]1C=CCC2(C1)SCCS2
InChIInChI=1S/C10H16OS2/c1-8(11)9-3-2-4-10(7-9)12-5-6-13-10/h2-3,8-9,11H,4-7H2,1H3/t8?,9-/m0/s1
InChIKeyBLFHWWNWEAUKML-GKAPJAKFSA-N
MW216.37 g/mol
LogP2.51
Rot. Bonds1

About 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol

1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol (PubChem CID 163456874) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol.

Molecular Properties

Compound Name1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol
PubChem CID163456874
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol
SMILESCC(O)[C@H]1C=CCC2(C1)SCCS2
InChIInChI=1S/C10H16OS2/c1-8(11)9-3-2-4-10(7-9)12-5-6-13-10/h2-3,8-9,11H,4-7H2,1H3/t8?,9-/m0/s1
InChIKeyBLFHWWNWEAUKML-GKAPJAKFSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol?
The IUPAC name of 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol (CID 163456874) is 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol.
What is the SMILES notation for 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol?
The canonical SMILES for 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol is CC(O)[C@H]1C=CCC2(C1)SCCS2.
What is the InChIKey of 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol?
The InChIKey is BLFHWWNWEAUKML-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16OS2/c1-8(11)9-3-2-4-10(7-9)12-5-6-13-10/h2-3,8-9,11H,4-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol?
1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol has a molecular weight of 216.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol is sourced from PubChem (CID 163456874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).