4-tetradecylcyclohexene

C20H38 — CID 54499913

IUPAC4-tetradecylcyclohexene
SMILESCCCCCCCCCCCCCCC1CC=CCC1
InChIInChI=1S/C20H38/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15,20H,2-12,14,16-19H2,1H3
InChIKeyODCQGUKWBDTXGY-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.43
Rot. Bonds13

About 4-tetradecylcyclohexene

4-tetradecylcyclohexene (PubChem CID 54499913) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 4-tetradecylcyclohexene.

Molecular Properties

Compound Name4-tetradecylcyclohexene
PubChem CID54499913
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name4-tetradecylcyclohexene
SMILESCCCCCCCCCCCCCCC1CC=CCC1
InChIInChI=1S/C20H38/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15,20H,2-12,14,16-19H2,1H3
InChIKeyODCQGUKWBDTXGY-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-hexylcyclopentene
CID 10487053
4-propylcyclohexene
CID 518777
4-(2-dodecylsulfanylethyl)cyclohexene
CID 132546559
11-cyclohex-3-en-1-ylundecanenitrile
CID 11436571
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
3,12-dioctyl-1,2-diazacyclododeca-1,5,9-triene
CID 56632915
3,12-di(undecyl)-1,2-diazacyclododeca-1,5,9-triene
CID 57073636
azane;hexylcyclopropane
CID 135322230
3-cyclohex-3-en-1-ylpropyl(dimethoxy)silane
CID 123278709

Frequently Asked Questions

What is the IUPAC name of 4-tetradecylcyclohexene?
The IUPAC name of 4-tetradecylcyclohexene (CID 54499913) is 4-tetradecylcyclohexene.
What is the SMILES notation for 4-tetradecylcyclohexene?
The canonical SMILES for 4-tetradecylcyclohexene is CCCCCCCCCCCCCCC1CC=CCC1.
What is the InChIKey of 4-tetradecylcyclohexene?
The InChIKey is ODCQGUKWBDTXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15,20H,2-12,14,16-19H2,1H3.
What are the key properties of 4-tetradecylcyclohexene?
4-tetradecylcyclohexene has a molecular weight of 278.52 g/mol, XLogP of 7.43, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetradecylcyclohexene is sourced from PubChem (CID 54499913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).