5-ethyl-2-methylidene-6-propyldec-3-enenitrile

C16H27N — CID 123299633

IUPAC5-ethyl-2-methylidene-6-propyldec-3-enenitrile
SMILESC=C(C#N)C=CC(CC)C(CCC)CCCC
InChIInChI=1S/C16H27N/c1-5-8-10-16(9-6-2)15(7-3)12-11-14(4)13-17/h11-12,15-16H,4-10H2,1-3H3
InChIKeyJUBYBYHIQXOIKB-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.26
Rot. Bonds9

About 5-ethyl-2-methylidene-6-propyldec-3-enenitrile

5-ethyl-2-methylidene-6-propyldec-3-enenitrile (PubChem CID 123299633) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 5-ethyl-2-methylidene-6-propyldec-3-enenitrile.

Molecular Properties

Compound Name5-ethyl-2-methylidene-6-propyldec-3-enenitrile
PubChem CID123299633
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name5-ethyl-2-methylidene-6-propyldec-3-enenitrile
SMILESC=C(C#N)C=CC(CC)C(CCC)CCCC
InChIInChI=1S/C16H27N/c1-5-8-10-16(9-6-2)15(7-3)12-11-14(4)13-17/h11-12,15-16H,4-10H2,1-3H3
InChIKeyJUBYBYHIQXOIKB-UHFFFAOYSA-N
XLogP5.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-diethylnonane
CID 21188862
(3S,4R)-3,5-diethylnon-1-en-4-ol
CID 102096606
2-butyl-3-propylbutane-1,4-diol
CID 87266771
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
5,6-dipropyldec-1-ene
CID 123363407
2,3-bis(2-ethylhexylsulfanyl)but-2-enedinitrile
CID 123201122
2-cyanoprop-2-enoic acid;3-methylheptane
CID 174799306
6,7-dipropyldodecane
CID 529940
5,7-diethylundecan-6-ol
CID 89253066
4,5-dipropylnonane;5-propylnonane
CID 157465342
5-butylnonan-4-ol
CID 173066814
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylidene-6-propyldec-3-enenitrile?
The IUPAC name of 5-ethyl-2-methylidene-6-propyldec-3-enenitrile (CID 123299633) is 5-ethyl-2-methylidene-6-propyldec-3-enenitrile.
What is the SMILES notation for 5-ethyl-2-methylidene-6-propyldec-3-enenitrile?
The canonical SMILES for 5-ethyl-2-methylidene-6-propyldec-3-enenitrile is C=C(C#N)C=CC(CC)C(CCC)CCCC.
What is the InChIKey of 5-ethyl-2-methylidene-6-propyldec-3-enenitrile?
The InChIKey is JUBYBYHIQXOIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-8-10-16(9-6-2)15(7-3)12-11-14(4)13-17/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-2-methylidene-6-propyldec-3-enenitrile?
5-ethyl-2-methylidene-6-propyldec-3-enenitrile has a molecular weight of 233.40 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylidene-6-propyldec-3-enenitrile is sourced from PubChem (CID 123299633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).