7-thiaspiro[4.5]decan-10-ol

C9H16OS — CID 82411755

IUPAC7-thiaspiro[4.5]decan-10-ol
SMILESOC1CCSCC12CCCC2
InChIInChI=1S/C9H16OS/c10-8-3-6-11-7-9(8)4-1-2-5-9/h8,10H,1-7H2
InChIKeyDOKHKWATEOTHBY-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.04
Rot. Bonds

About 7-thiaspiro[4.5]decan-10-ol

7-thiaspiro[4.5]decan-10-ol (PubChem CID 82411755) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 7-thiaspiro[4.5]decan-10-ol.

Molecular Properties

Compound Name7-thiaspiro[4.5]decan-10-ol
PubChem CID82411755
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name7-thiaspiro[4.5]decan-10-ol
SMILESOC1CCSCC12CCCC2
InChIInChI=1S/C9H16OS/c10-8-3-6-11-7-9(8)4-1-2-5-9/h8,10H,1-7H2
InChIKeyDOKHKWATEOTHBY-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-thiaspiro[4.5]decan-10-ol?
The IUPAC name of 7-thiaspiro[4.5]decan-10-ol (CID 82411755) is 7-thiaspiro[4.5]decan-10-ol.
What is the SMILES notation for 7-thiaspiro[4.5]decan-10-ol?
The canonical SMILES for 7-thiaspiro[4.5]decan-10-ol is OC1CCSCC12CCCC2.
What is the InChIKey of 7-thiaspiro[4.5]decan-10-ol?
The InChIKey is DOKHKWATEOTHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c10-8-3-6-11-7-9(8)4-1-2-5-9/h8,10H,1-7H2.
What are the key properties of 7-thiaspiro[4.5]decan-10-ol?
7-thiaspiro[4.5]decan-10-ol has a molecular weight of 172.29 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiaspiro[4.5]decan-10-ol is sourced from PubChem (CID 82411755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).