11-cyclohex-3-en-1-ylundecanenitrile

C17H29N — CID 11436571

IUPAC11-cyclohex-3-en-1-ylundecanenitrile
SMILESN#CCCCCCCCCCCC1CC=CCC1
InChIInChI=1S/C17H29N/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10,17H,1-7,9,11-15H2
InChIKeyRFYCBFVCNNSVFC-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.77
Rot. Bonds10

About 11-cyclohex-3-en-1-ylundecanenitrile

11-cyclohex-3-en-1-ylundecanenitrile (PubChem CID 11436571) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 11-cyclohex-3-en-1-ylundecanenitrile.

Molecular Properties

Compound Name11-cyclohex-3-en-1-ylundecanenitrile
PubChem CID11436571
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name11-cyclohex-3-en-1-ylundecanenitrile
SMILESN#CCCCCCCCCCCC1CC=CCC1
InChIInChI=1S/C17H29N/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10,17H,1-7,9,11-15H2
InChIKeyRFYCBFVCNNSVFC-UHFFFAOYSA-N
XLogP5.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-tetradecylcyclohexene
CID 54499913
4-propylcyclohexene
CID 518777
3-cyclohex-3-en-1-ylpropane-1,1-diol
CID 89285958
5-piperidin-4-ylpentanenitrile;hydrochloride
CID 155294565
3-cyclohex-3-en-1-ylpropyl(dimethoxy)silane
CID 123278709
henicosanedinitrile
CID 87345062
5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
CID 18611515
4-(2-dodecylsulfanylethyl)cyclohexene
CID 132546559
methyl 3-cyclohex-3-en-1-ylpropanoate
CID 12772855
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
3-[(1R)-1-[(1S)-cyclohex-3-en-1-yl]prop-2-ynoxy]propanenitrile
CID 40522679
4-hexylcyclopentene
CID 10487053

Frequently Asked Questions

What is the IUPAC name of 11-cyclohex-3-en-1-ylundecanenitrile?
The IUPAC name of 11-cyclohex-3-en-1-ylundecanenitrile (CID 11436571) is 11-cyclohex-3-en-1-ylundecanenitrile.
What is the SMILES notation for 11-cyclohex-3-en-1-ylundecanenitrile?
The canonical SMILES for 11-cyclohex-3-en-1-ylundecanenitrile is N#CCCCCCCCCCCC1CC=CCC1.
What is the InChIKey of 11-cyclohex-3-en-1-ylundecanenitrile?
The InChIKey is RFYCBFVCNNSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c18-16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10,17H,1-7,9,11-15H2.
What are the key properties of 11-cyclohex-3-en-1-ylundecanenitrile?
11-cyclohex-3-en-1-ylundecanenitrile has a molecular weight of 247.43 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohex-3-en-1-ylundecanenitrile is sourced from PubChem (CID 11436571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).