5-ethenyldodecane

C14H28 — CID 11106289

IUPAC5-ethenyldodecane
SMILESC=CC(CCCC)CCCCCCC
InChIInChI=1S/C14H28/c1-4-7-9-10-11-13-14(6-3)12-8-5-2/h6,14H,3-5,7-13H2,1-2H3
InChIKeyCNRUFRSWCIIVSC-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds10

About 5-ethenyldodecane

5-ethenyldodecane (PubChem CID 11106289) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 5-ethenyldodecane.

Molecular Properties

Compound Name5-ethenyldodecane
PubChem CID11106289
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name5-ethenyldodecane
SMILESC=CC(CCCC)CCCCCCC
InChIInChI=1S/C14H28/c1-4-7-9-10-11-13-14(6-3)12-8-5-2/h6,14H,3-5,7-13H2,1-2H3
InChIKeyCNRUFRSWCIIVSC-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
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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Frequently Asked Questions

What is the IUPAC name of 5-ethenyldodecane?
The IUPAC name of 5-ethenyldodecane (CID 11106289) is 5-ethenyldodecane.
What is the SMILES notation for 5-ethenyldodecane?
The canonical SMILES for 5-ethenyldodecane is C=CC(CCCC)CCCCCCC.
What is the InChIKey of 5-ethenyldodecane?
The InChIKey is CNRUFRSWCIIVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-7-9-10-11-13-14(6-3)12-8-5-2/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of 5-ethenyldodecane?
5-ethenyldodecane has a molecular weight of 196.38 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyldodecane is sourced from PubChem (CID 11106289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).