(4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile

C14H23N — CID 6436709

IUPAC(4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CC(C)(C)C#N
InChIInChI=1S/C14H23N/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9H,6,8,10H2,1-5H3/b13-9+
InChIKeyNFMTVOFPAPETFY-UKTHLTGXSA-N
MW205.34 g/mol
LogP4.62
Rot. Bonds5

About (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile

(4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile (PubChem CID 6436709) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile.

Molecular Properties

Compound Name(4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile
PubChem CID6436709
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CC(C)(C)C#N
InChIInChI=1S/C14H23N/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9H,6,8,10H2,1-5H3/b13-9+
InChIKeyNFMTVOFPAPETFY-UKTHLTGXSA-N
XLogP4.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile?
The IUPAC name of (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile (CID 6436709) is (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile.
What is the SMILES notation for (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile?
The canonical SMILES for (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile is CC(C)=CCC/C(C)=C/CC(C)(C)C#N.
What is the InChIKey of (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile?
The InChIKey is NFMTVOFPAPETFY-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H23N/c1-12(2)7-6-8-13(3)9-10-14(4,5)11-15/h7,9H,6,8,10H2,1-5H3/b13-9+.
What are the key properties of (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile?
(4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile has a molecular weight of 205.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile is sourced from PubChem (CID 6436709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).