[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol

C11H20O — CID 122664511

IUPAC[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol
SMILESCC(C)(C)CC12CC(CO)(C1)C2
InChIInChI=1S/C11H20O/c1-9(2,3)4-10-5-11(6-10,7-10)8-12/h12H,4-8H2,1-3H3
InChIKeyFSDAOQSJSQJBNE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds2

About [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol

[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol (PubChem CID 122664511) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol
PubChem CID122664511
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol
SMILESCC(C)(C)CC12CC(CO)(C1)C2
InChIInChI=1S/C11H20O/c1-9(2,3)4-10-5-11(6-10,7-10)8-12/h12H,4-8H2,1-3H3
InChIKeyFSDAOQSJSQJBNE-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol?
The IUPAC name of [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol (CID 122664511) is [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol.
What is the SMILES notation for [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol?
The canonical SMILES for [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol is CC(C)(C)CC12CC(CO)(C1)C2.
What is the InChIKey of [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol?
The InChIKey is FSDAOQSJSQJBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2,3)4-10-5-11(6-10,7-10)8-12/h12H,4-8H2,1-3H3.
What are the key properties of [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol?
[3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol is sourced from PubChem (CID 122664511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).