5-(2-cyanoethoxymethyl)decanenitrile

C14H24N2O — CID 166999633

IUPAC5-(2-cyanoethoxymethyl)decanenitrile
SMILESCCCCCC(CCCC#N)COCCC#N
InChIInChI=1S/C14H24N2O/c1-2-3-4-8-14(9-5-6-10-15)13-17-12-7-11-16/h14H,2-9,12-13H2,1H3
InChIKeyPDSSPPMHGWXHNH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.81
Rot. Bonds11

About 5-(2-cyanoethoxymethyl)decanenitrile

5-(2-cyanoethoxymethyl)decanenitrile (PubChem CID 166999633) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(2-cyanoethoxymethyl)decanenitrile.

Molecular Properties

Compound Name5-(2-cyanoethoxymethyl)decanenitrile
PubChem CID166999633
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-(2-cyanoethoxymethyl)decanenitrile
SMILESCCCCCC(CCCC#N)COCCC#N
InChIInChI=1S/C14H24N2O/c1-2-3-4-8-14(9-5-6-10-15)13-17-12-7-11-16/h14H,2-9,12-13H2,1H3
InChIKeyPDSSPPMHGWXHNH-UHFFFAOYSA-N
XLogP3.81
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylhexoxy)propanenitrile
CID 25053
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-(butoxymethyl)nonane
CID 87066766
6-hexyltridecanenitrile
CID 129015600
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
4-(2-propylheptoxymethyl)nonane
CID 56652319
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
2-(2-hexyldecoxy)ethanamine
CID 139605050

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoethoxymethyl)decanenitrile?
The IUPAC name of 5-(2-cyanoethoxymethyl)decanenitrile (CID 166999633) is 5-(2-cyanoethoxymethyl)decanenitrile.
What is the SMILES notation for 5-(2-cyanoethoxymethyl)decanenitrile?
The canonical SMILES for 5-(2-cyanoethoxymethyl)decanenitrile is CCCCCC(CCCC#N)COCCC#N.
What is the InChIKey of 5-(2-cyanoethoxymethyl)decanenitrile?
The InChIKey is PDSSPPMHGWXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-8-14(9-5-6-10-15)13-17-12-7-11-16/h14H,2-9,12-13H2,1H3.
What are the key properties of 5-(2-cyanoethoxymethyl)decanenitrile?
5-(2-cyanoethoxymethyl)decanenitrile has a molecular weight of 236.36 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoethoxymethyl)decanenitrile is sourced from PubChem (CID 166999633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).