1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol

C11H20OS — CID 79557842

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)CC1CC2CCC1C2
InChIInChI=1S/C11H20OS/c1-13-7-11(12)6-10-5-8-2-3-9(10)4-8/h8-12H,2-7H2,1H3
InChIKeyJQOPBIUQBBNTNV-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol (PubChem CID 79557842) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol
PubChem CID79557842
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)CC1CC2CCC1C2
InChIInChI=1S/C11H20OS/c1-13-7-11(12)6-10-5-8-2-3-9(10)4-8/h8-12H,2-7H2,1H3
InChIKeyJQOPBIUQBBNTNV-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol (CID 79557842) is 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol is CSCC(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol?
The InChIKey is JQOPBIUQBBNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-13-7-11(12)6-10-5-8-2-3-9(10)4-8/h8-12H,2-7H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol has a molecular weight of 200.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 79557842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).