6-phenylmethoxyiminodecanenitrile

C17H24N2O — CID 140887606

IUPAC6-phenylmethoxyiminodecanenitrile
SMILESCCCCC(CCCCC#N)=NOCc1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-3-12-17(13-8-5-9-14-18)19-20-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-13,15H2,1H3
InChIKeyZYVDVBRHODNJDL-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.83
Rot. Bonds10

About 6-phenylmethoxyiminodecanenitrile

6-phenylmethoxyiminodecanenitrile (PubChem CID 140887606) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-phenylmethoxyiminodecanenitrile.

Molecular Properties

Compound Name6-phenylmethoxyiminodecanenitrile
PubChem CID140887606
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-phenylmethoxyiminodecanenitrile
SMILESCCCCC(CCCCC#N)=NOCc1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-3-12-17(13-8-5-9-14-18)19-20-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-13,15H2,1H3
InChIKeyZYVDVBRHODNJDL-UHFFFAOYSA-N
XLogP4.83
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxyiminohexanenitrile
CID 140887374
5-phenylmethoxyimino-2-propylhexanenitrile
CID 140887382
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
1,1'-biphenyl;pentanenitrile
CID 161141924
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
heptanenitrile;toluene
CID 174898319
trimethylsilyl 2-phenylmethoxyiminooctanoate
CID 561576
2-ethyl-4-phenylmethoxyiminobutanenitrile
CID 118511405
pentanenitrile;toluene
CID 158377987
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(E)-1-(2-methyl-1,3-dithiolan-2-yl)-N-phenylmethoxypentan-3-imine
CID 10357995

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyiminodecanenitrile?
The IUPAC name of 6-phenylmethoxyiminodecanenitrile (CID 140887606) is 6-phenylmethoxyiminodecanenitrile.
What is the SMILES notation for 6-phenylmethoxyiminodecanenitrile?
The canonical SMILES for 6-phenylmethoxyiminodecanenitrile is CCCCC(CCCCC#N)=NOCc1ccccc1.
What is the InChIKey of 6-phenylmethoxyiminodecanenitrile?
The InChIKey is ZYVDVBRHODNJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-12-17(13-8-5-9-14-18)19-20-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-13,15H2,1H3.
What are the key properties of 6-phenylmethoxyiminodecanenitrile?
6-phenylmethoxyiminodecanenitrile has a molecular weight of 272.39 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyiminodecanenitrile is sourced from PubChem (CID 140887606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).