3-(3-methylidenedecan-2-yloxy)propanenitrile

C14H25NO — CID 156890381

IUPAC3-(3-methylidenedecan-2-yloxy)propanenitrile
SMILESC=C(CCCCCCC)C(C)OCCC#N
InChIInChI=1S/C14H25NO/c1-4-5-6-7-8-10-13(2)14(3)16-12-9-11-15/h14H,2,4-10,12H2,1,3H3
InChIKeyLFJNVLGHZUDDQA-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.22
Rot. Bonds10

About 3-(3-methylidenedecan-2-yloxy)propanenitrile

3-(3-methylidenedecan-2-yloxy)propanenitrile (PubChem CID 156890381) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(3-methylidenedecan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name3-(3-methylidenedecan-2-yloxy)propanenitrile
PubChem CID156890381
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(3-methylidenedecan-2-yloxy)propanenitrile
SMILESC=C(CCCCCCC)C(C)OCCC#N
InChIInChI=1S/C14H25NO/c1-4-5-6-7-8-10-13(2)14(3)16-12-9-11-15/h14H,2,4-10,12H2,1,3H3
InChIKeyLFJNVLGHZUDDQA-UHFFFAOYSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylidenenonoxy)propanenitrile
CID 156890401
3-(4-methylideneheptan-3-yloxy)propanenitrile
CID 156890393
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
4-oxododecanenitrile
CID 10943401
3-cyanopropyl nonyl carbonate
CID 155213062
2-cyanoethyl dodecyl carbonate
CID 155213216
2-cyanoethyl 3-oxooctanoate
CID 23004120
2-methylidenehexadecanenitrile
CID 15496090
4-pentoxybutanenitrile
CID 43275140
[3-cyanopropyl(dimethyl)silyl] undecanoate
CID 91712847
3-(2-methylidenenonylamino)propanenitrile
CID 163840487

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylidenedecan-2-yloxy)propanenitrile?
The IUPAC name of 3-(3-methylidenedecan-2-yloxy)propanenitrile (CID 156890381) is 3-(3-methylidenedecan-2-yloxy)propanenitrile.
What is the SMILES notation for 3-(3-methylidenedecan-2-yloxy)propanenitrile?
The canonical SMILES for 3-(3-methylidenedecan-2-yloxy)propanenitrile is C=C(CCCCCCC)C(C)OCCC#N.
What is the InChIKey of 3-(3-methylidenedecan-2-yloxy)propanenitrile?
The InChIKey is LFJNVLGHZUDDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-7-8-10-13(2)14(3)16-12-9-11-15/h14H,2,4-10,12H2,1,3H3.
What are the key properties of 3-(3-methylidenedecan-2-yloxy)propanenitrile?
3-(3-methylidenedecan-2-yloxy)propanenitrile has a molecular weight of 223.36 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidenedecan-2-yloxy)propanenitrile is sourced from PubChem (CID 156890381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).