(3R,4R)-3,4-dihydroxypentadecanenitrile

C15H29NO2 — CID 101348411

IUPAC(3R,4R)-3,4-dihydroxypentadecanenitrile
SMILESCCCCCCCCCCC[C@@H](O)[C@H](O)CC#N
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15(18)12-13-16/h14-15,17-18H,2-12H2,1H3/t14-,15-/m1/s1
InChIKeyXNLMYEVZFVSISN-HUUCEWRRSA-N
MW255.40 g/mol
LogP3.54
Rot. Bonds12

About (3R,4R)-3,4-dihydroxypentadecanenitrile

(3R,4R)-3,4-dihydroxypentadecanenitrile (PubChem CID 101348411) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxypentadecanenitrile.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxypentadecanenitrile
PubChem CID101348411
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(3R,4R)-3,4-dihydroxypentadecanenitrile
SMILESCCCCCCCCCCC[C@@H](O)[C@H](O)CC#N
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15(18)12-13-16/h14-15,17-18H,2-12H2,1H3/t14-,15-/m1/s1
InChIKeyXNLMYEVZFVSISN-HUUCEWRRSA-N
XLogP3.54
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4R)-3,4-dihydroxypentadecanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonacosane-14,15-diol
CID 91509633
(3R)-3-hydroxynonanenitrile
CID 11298091
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(9R,10R)-9-hydroxy-10-methyloctadecanenitrile
CID 90310037
pentadecane-4,5-diol
CID 103454846
3-hexylnonanenitrile
CID 174880695
(2S,3R)-3-hydroxy-2-methyldecanenitrile
CID 50900060
4-hydroxydodecanenitrile
CID 10488163
(5S)-3,5-dihydroxydecanenitrile
CID 71379501
(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol
CID 46185437
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxypentadecanenitrile?
The IUPAC name of (3R,4R)-3,4-dihydroxypentadecanenitrile (CID 101348411) is (3R,4R)-3,4-dihydroxypentadecanenitrile.
What is the SMILES notation for (3R,4R)-3,4-dihydroxypentadecanenitrile?
The canonical SMILES for (3R,4R)-3,4-dihydroxypentadecanenitrile is CCCCCCCCCCC[C@@H](O)[C@H](O)CC#N.
What is the InChIKey of (3R,4R)-3,4-dihydroxypentadecanenitrile?
The InChIKey is XNLMYEVZFVSISN-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15(18)12-13-16/h14-15,17-18H,2-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxypentadecanenitrile?
(3R,4R)-3,4-dihydroxypentadecanenitrile has a molecular weight of 255.40 g/mol, XLogP of 3.54, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxypentadecanenitrile is sourced from PubChem (CID 101348411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).