(3R)-3-hydroxynonanenitrile

C9H17NO — CID 11298091

IUPAC(3R)-3-hydroxynonanenitrile
SMILESCCCCCC[C@@H](O)CC#N
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-9(11)7-8-10/h9,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyLRAARMBQGRNMAY-SECBINFHSA-N
MW155.24 g/mol
LogP2.23
Rot. Bonds6

About (3R)-3-hydroxynonanenitrile

(3R)-3-hydroxynonanenitrile (PubChem CID 11298091) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R)-3-hydroxynonanenitrile.

Molecular Properties

Compound Name(3R)-3-hydroxynonanenitrile
PubChem CID11298091
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3R)-3-hydroxynonanenitrile
SMILESCCCCCC[C@@H](O)CC#N
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-9(11)7-8-10/h9,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyLRAARMBQGRNMAY-SECBINFHSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.23
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

(5S)-3,5-dihydroxydecanenitrile
CID 71379501
4-hydroxydodecanenitrile
CID 10488163
(3R,4R)-3,4-dihydroxypentadecanenitrile
CID 101348411
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
3-hexylnonanenitrile
CID 174880695

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxynonanenitrile?
The IUPAC name of (3R)-3-hydroxynonanenitrile (CID 11298091) is (3R)-3-hydroxynonanenitrile.
What is the SMILES notation for (3R)-3-hydroxynonanenitrile?
The canonical SMILES for (3R)-3-hydroxynonanenitrile is CCCCCC[C@@H](O)CC#N.
What is the InChIKey of (3R)-3-hydroxynonanenitrile?
The InChIKey is LRAARMBQGRNMAY-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-6-9(11)7-8-10/h9,11H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxynonanenitrile?
(3R)-3-hydroxynonanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxynonanenitrile is sourced from PubChem (CID 11298091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).