10,11-dihydroxyundecanenitrile

C11H21NO2 — CID 121216355

IUPAC10,11-dihydroxyundecanenitrile
SMILESN#CCCCCCCCCC(O)CO
InChIInChI=1S/C11H21NO2/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11,13-14H,1-8,10H2
InChIKeyDEJHNFRFLKDCIV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.98
Rot. Bonds9

About 10,11-dihydroxyundecanenitrile

10,11-dihydroxyundecanenitrile (PubChem CID 121216355) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 10,11-dihydroxyundecanenitrile.

Molecular Properties

Compound Name10,11-dihydroxyundecanenitrile
PubChem CID121216355
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name10,11-dihydroxyundecanenitrile
SMILESN#CCCCCCCCCC(O)CO
InChIInChI=1S/C11H21NO2/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11,13-14H,1-8,10H2
InChIKeyDEJHNFRFLKDCIV-UHFFFAOYSA-N
XLogP1.98
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecane-1,2,11,12-tetrol
CID 71392430
henicosanedinitrile
CID 87345062
4-hydroxydodecanenitrile
CID 10488163
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
(2S)-24-methylpentacosane-1,2-diol
CID 162845743
octane-1,2-diol
CID 159791136
decane-1,2,8-triol
CID 88722169
tricosane-1,2-diol
CID 42607324
CID 158891282
CID 158891282

Frequently Asked Questions

What is the IUPAC name of 10,11-dihydroxyundecanenitrile?
The IUPAC name of 10,11-dihydroxyundecanenitrile (CID 121216355) is 10,11-dihydroxyundecanenitrile.
What is the SMILES notation for 10,11-dihydroxyundecanenitrile?
The canonical SMILES for 10,11-dihydroxyundecanenitrile is N#CCCCCCCCCC(O)CO.
What is the InChIKey of 10,11-dihydroxyundecanenitrile?
The InChIKey is DEJHNFRFLKDCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11,13-14H,1-8,10H2.
What are the key properties of 10,11-dihydroxyundecanenitrile?
10,11-dihydroxyundecanenitrile has a molecular weight of 199.29 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dihydroxyundecanenitrile is sourced from PubChem (CID 121216355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).