3-hydroxy-2,2-dimethylnonanenitrile

C11H21NO — CID 15156105

IUPAC3-hydroxy-2,2-dimethylnonanenitrile
SMILESCCCCCCC(O)C(C)(C)C#N
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-10(13)11(2,3)9-12/h10,13H,4-8H2,1-3H3
InChIKeyLMKMPNWZWFEDFQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.87
Rot. Bonds6

About 3-hydroxy-2,2-dimethylnonanenitrile

3-hydroxy-2,2-dimethylnonanenitrile (PubChem CID 15156105) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylnonanenitrile.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylnonanenitrile
PubChem CID15156105
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-hydroxy-2,2-dimethylnonanenitrile
SMILESCCCCCCC(O)C(C)(C)C#N
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-10(13)11(2,3)9-12/h10,13H,4-8H2,1-3H3
InChIKeyLMKMPNWZWFEDFQ-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-methyldodecane-3,4-diol
CID 103448703
3-(dimethylamino)-3-methyltetradecan-4-ol
CID 79064165
2-methyl-2-methylsulfonyldodecan-3-ol
CID 115782848
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
3,3-diethyldecan-4-ol
CID 150278197

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylnonanenitrile?
The IUPAC name of 3-hydroxy-2,2-dimethylnonanenitrile (CID 15156105) is 3-hydroxy-2,2-dimethylnonanenitrile.
What is the SMILES notation for 3-hydroxy-2,2-dimethylnonanenitrile?
The canonical SMILES for 3-hydroxy-2,2-dimethylnonanenitrile is CCCCCCC(O)C(C)(C)C#N.
What is the InChIKey of 3-hydroxy-2,2-dimethylnonanenitrile?
The InChIKey is LMKMPNWZWFEDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-8-10(13)11(2,3)9-12/h10,13H,4-8H2,1-3H3.
What are the key properties of 3-hydroxy-2,2-dimethylnonanenitrile?
3-hydroxy-2,2-dimethylnonanenitrile has a molecular weight of 183.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethylnonanenitrile is sourced from PubChem (CID 15156105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).