(9R,10R)-9-hydroxy-10-methyloctadecanenitrile

C19H37NO — CID 90310037

IUPAC(9R,10R)-9-hydroxy-10-methyloctadecanenitrile
SMILESCCCCCCCC[C@@H](C)[C@H](O)CCCCCCCC#N
InChIInChI=1S/C19H37NO/c1-3-4-5-6-9-12-15-18(2)19(21)16-13-10-7-8-11-14-17-20/h18-19,21H,3-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyZEQOHPMKQVLVOZ-RTBURBONSA-N
MW295.51 g/mol
LogP5.99
Rot. Bonds15

About (9R,10R)-9-hydroxy-10-methyloctadecanenitrile

(9R,10R)-9-hydroxy-10-methyloctadecanenitrile (PubChem CID 90310037) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (9R,10R)-9-hydroxy-10-methyloctadecanenitrile.

Molecular Properties

Compound Name(9R,10R)-9-hydroxy-10-methyloctadecanenitrile
PubChem CID90310037
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(9R,10R)-9-hydroxy-10-methyloctadecanenitrile
SMILESCCCCCCCC[C@@H](C)[C@H](O)CCCCCCCC#N
InChIInChI=1S/C19H37NO/c1-3-4-5-6-9-12-15-18(2)19(21)16-13-10-7-8-11-14-17-20/h18-19,21H,3-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyZEQOHPMKQVLVOZ-RTBURBONSA-N
XLogP5.99
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.99
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

7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
4-methyltetradecan-5-ol
CID 65149403
(3R,4R)-3,4-dihydroxypentadecanenitrile
CID 101348411
21-methylhentriacontanenitrile
CID 527382
nonacosane-14,15-diol
CID 91509633
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
21,25-dimethylhentriacontanenitrile
CID 527376
6-hexyltridecanenitrile
CID 129015600
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-9-hydroxy-10-methyloctadecanenitrile?
The IUPAC name of (9R,10R)-9-hydroxy-10-methyloctadecanenitrile (CID 90310037) is (9R,10R)-9-hydroxy-10-methyloctadecanenitrile.
What is the SMILES notation for (9R,10R)-9-hydroxy-10-methyloctadecanenitrile?
The canonical SMILES for (9R,10R)-9-hydroxy-10-methyloctadecanenitrile is CCCCCCCC[C@@H](C)[C@H](O)CCCCCCCC#N.
What is the InChIKey of (9R,10R)-9-hydroxy-10-methyloctadecanenitrile?
The InChIKey is ZEQOHPMKQVLVOZ-RTBURBONSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-5-6-9-12-15-18(2)19(21)16-13-10-7-8-11-14-17-20/h18-19,21H,3-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (9R,10R)-9-hydroxy-10-methyloctadecanenitrile?
(9R,10R)-9-hydroxy-10-methyloctadecanenitrile has a molecular weight of 295.51 g/mol, XLogP of 5.99, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-9-hydroxy-10-methyloctadecanenitrile is sourced from PubChem (CID 90310037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).