3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile

C12H21NO2 — CID 58220984

IUPAC3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile
SMILESCC(C)(C)C(CC#N)C1CCC(O)C1O
InChIInChI=1S/C12H21NO2/c1-12(2,3)9(6-7-13)8-4-5-10(14)11(8)15/h8-11,14-15H,4-6H2,1-3H3
InChIKeyGOVMDHSIBSIUGT-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.69
Rot. Bonds2

About 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile

3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile (PubChem CID 58220984) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile
PubChem CID58220984
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile
SMILESCC(C)(C)C(CC#N)C1CCC(O)C1O
InChIInChI=1S/C12H21NO2/c1-12(2,3)9(6-7-13)8-4-5-10(14)11(8)15/h8-11,14-15H,4-6H2,1-3H3
InChIKeyGOVMDHSIBSIUGT-UHFFFAOYSA-N
XLogP1.69
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile?
The IUPAC name of 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile (CID 58220984) is 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile?
The canonical SMILES for 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile is CC(C)(C)C(CC#N)C1CCC(O)C1O.
What is the InChIKey of 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile?
The InChIKey is GOVMDHSIBSIUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)9(6-7-13)8-4-5-10(14)11(8)15/h8-11,14-15H,4-6H2,1-3H3.
What are the key properties of 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile?
3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile has a molecular weight of 211.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxycyclopentyl)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 58220984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).