2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol

C11H20OS — CID 130708735

IUPAC2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)SC1CC2CCC1C2
InChIInChI=1S/C11H20OS/c1-11(2,7-12)13-10-6-8-3-4-9(10)5-8/h8-10,12H,3-7H2,1-2H3
InChIKeyLYCLLAZTNVYEBL-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.68
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol

2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol (PubChem CID 130708735) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol
PubChem CID130708735
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)SC1CC2CCC1C2
InChIInChI=1S/C11H20OS/c1-11(2,7-12)13-10-6-8-3-4-9(10)5-8/h8-10,12H,3-7H2,1-2H3
InChIKeyLYCLLAZTNVYEBL-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropanoic acid
CID 130494260
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
bis(2-bicyclo[2.2.1]heptanylsulfanyl)methanethione
CID 87474944
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507
2-nitrososulfanylbicyclo[2.2.1]heptane
CID 162522476
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
2-(2-bicyclo[2.2.1]heptanyl)-2-phenylbutan-1-ol
CID 114246918

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol (CID 130708735) is 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol is CC(C)(CO)SC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol?
The InChIKey is LYCLLAZTNVYEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-11(2,7-12)13-10-6-8-3-4-9(10)5-8/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol?
2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol has a molecular weight of 200.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol is sourced from PubChem (CID 130708735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).