3-ethyl-8-thiaspiro[4.5]decan-4-ol

C11H20OS — CID 142510403

IUPAC3-ethyl-8-thiaspiro[4.5]decan-4-ol
SMILESCCC1CCC2(CCSCC2)C1O
InChIInChI=1S/C11H20OS/c1-2-9-3-4-11(10(9)12)5-7-13-8-6-11/h9-10,12H,2-8H2,1H3
InChIKeyBJHADGDDPFFXQV-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.68
Rot. Bonds1

About 3-ethyl-8-thiaspiro[4.5]decan-4-ol

3-ethyl-8-thiaspiro[4.5]decan-4-ol (PubChem CID 142510403) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-ethyl-8-thiaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name3-ethyl-8-thiaspiro[4.5]decan-4-ol
PubChem CID142510403
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-ethyl-8-thiaspiro[4.5]decan-4-ol
SMILESCCC1CCC2(CCSCC2)C1O
InChIInChI=1S/C11H20OS/c1-2-9-3-4-11(10(9)12)5-7-13-8-6-11/h9-10,12H,2-8H2,1H3
InChIKeyBJHADGDDPFFXQV-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-thiaspiro[4.5]decan-4-ol?
The IUPAC name of 3-ethyl-8-thiaspiro[4.5]decan-4-ol (CID 142510403) is 3-ethyl-8-thiaspiro[4.5]decan-4-ol.
What is the SMILES notation for 3-ethyl-8-thiaspiro[4.5]decan-4-ol?
The canonical SMILES for 3-ethyl-8-thiaspiro[4.5]decan-4-ol is CCC1CCC2(CCSCC2)C1O.
What is the InChIKey of 3-ethyl-8-thiaspiro[4.5]decan-4-ol?
The InChIKey is BJHADGDDPFFXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-9-3-4-11(10(9)12)5-7-13-8-6-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-ethyl-8-thiaspiro[4.5]decan-4-ol?
3-ethyl-8-thiaspiro[4.5]decan-4-ol has a molecular weight of 200.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-thiaspiro[4.5]decan-4-ol is sourced from PubChem (CID 142510403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).