2-propan-2-ylsulfanylcyclohexan-1-ol

C9H18OS — CID 60878810

IUPAC2-propan-2-ylsulfanylcyclohexan-1-ol
SMILESCC(C)SC1CCCCC1O
InChIInChI=1S/C9H18OS/c1-7(2)11-9-6-4-3-5-8(9)10/h7-10H,3-6H2,1-2H3
InChIKeyFWTVWXTZCDQSAU-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.43
Rot. Bonds2

About 2-propan-2-ylsulfanylcyclohexan-1-ol

2-propan-2-ylsulfanylcyclohexan-1-ol (PubChem CID 60878810) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name2-propan-2-ylsulfanylcyclohexan-1-ol
PubChem CID60878810
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-propan-2-ylsulfanylcyclohexan-1-ol
SMILESCC(C)SC1CCCCC1O
InChIInChI=1S/C9H18OS/c1-7(2)11-9-6-4-3-5-8(9)10/h7-10H,3-6H2,1-2H3
InChIKeyFWTVWXTZCDQSAU-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylcyclohexan-1-ol?
The IUPAC name of 2-propan-2-ylsulfanylcyclohexan-1-ol (CID 60878810) is 2-propan-2-ylsulfanylcyclohexan-1-ol.
What is the SMILES notation for 2-propan-2-ylsulfanylcyclohexan-1-ol?
The canonical SMILES for 2-propan-2-ylsulfanylcyclohexan-1-ol is CC(C)SC1CCCCC1O.
What is the InChIKey of 2-propan-2-ylsulfanylcyclohexan-1-ol?
The InChIKey is FWTVWXTZCDQSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-7(2)11-9-6-4-3-5-8(9)10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanylcyclohexan-1-ol?
2-propan-2-ylsulfanylcyclohexan-1-ol has a molecular weight of 174.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 60878810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).