3-(2-hydroxycyclododecyl)propanenitrile

C15H27NO — CID 2801467

IUPAC3-(2-hydroxycyclododecyl)propanenitrile
SMILESN#CCCC1CCCCCCCCCCC1O
InChIInChI=1S/C15H27NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14-15,17H,1-12H2
InChIKeyDNOROYBKBIMHAK-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.18
Rot. Bonds2

About 3-(2-hydroxycyclododecyl)propanenitrile

3-(2-hydroxycyclododecyl)propanenitrile (PubChem CID 2801467) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(2-hydroxycyclododecyl)propanenitrile.

Molecular Properties

Compound Name3-(2-hydroxycyclododecyl)propanenitrile
PubChem CID2801467
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(2-hydroxycyclododecyl)propanenitrile
SMILESN#CCCC1CCCCCCCCCCC1O
InChIInChI=1S/C15H27NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14-15,17H,1-12H2
InChIKeyDNOROYBKBIMHAK-UHFFFAOYSA-N
XLogP4.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclododecyl)propanenitrile?
The IUPAC name of 3-(2-hydroxycyclododecyl)propanenitrile (CID 2801467) is 3-(2-hydroxycyclododecyl)propanenitrile.
What is the SMILES notation for 3-(2-hydroxycyclododecyl)propanenitrile?
The canonical SMILES for 3-(2-hydroxycyclododecyl)propanenitrile is N#CCCC1CCCCCCCCCCC1O.
What is the InChIKey of 3-(2-hydroxycyclododecyl)propanenitrile?
The InChIKey is DNOROYBKBIMHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c16-13-9-11-14-10-7-5-3-1-2-4-6-8-12-15(14)17/h14-15,17H,1-12H2.
What are the key properties of 3-(2-hydroxycyclododecyl)propanenitrile?
3-(2-hydroxycyclododecyl)propanenitrile has a molecular weight of 237.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclododecyl)propanenitrile is sourced from PubChem (CID 2801467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).