7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol

C11H20OS — CID 159986096

IUPAC7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol
SMILESCC(C)C1(O)CCC2(CC1)CSC2
InChIInChI=1S/C11H20OS/c1-9(2)11(12)5-3-10(4-6-11)7-13-8-10/h9,12H,3-8H2,1-2H3
InChIKeyIULUAYNERPMVQU-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.68
Rot. Bonds1

About 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol

7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol (PubChem CID 159986096) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol.

Molecular Properties

Compound Name7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol
PubChem CID159986096
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol
SMILESCC(C)C1(O)CCC2(CC1)CSC2
InChIInChI=1S/C11H20OS/c1-9(2)11(12)5-3-10(4-6-11)7-13-8-10/h9,12H,3-8H2,1-2H3
InChIKeyIULUAYNERPMVQU-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 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol?
The IUPAC name of 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol (CID 159986096) is 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol.
What is the SMILES notation for 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol?
The canonical SMILES for 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol is CC(C)C1(O)CCC2(CC1)CSC2.
What is the InChIKey of 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol?
The InChIKey is IULUAYNERPMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)11(12)5-3-10(4-6-11)7-13-8-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol?
7-propan-2-yl-2-thiaspiro[3.5]nonan-7-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 7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol is sourced from PubChem (CID 159986096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).