6-ethylidenehexadecane

C18H36 — CID 169207706

IUPAC6-ethylidenehexadecane
SMILESCC=C(CCCCC)CCCCCCCCCC
InChIInChI=1S/C18H36/c1-4-7-9-10-11-12-13-15-17-18(6-3)16-14-8-5-2/h6H,4-5,7-17H2,1-3H3
InChIKeyKHLUDRVYXLVQPU-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds13

About 6-ethylidenehexadecane

6-ethylidenehexadecane (PubChem CID 169207706) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 6-ethylidenehexadecane.

Molecular Properties

Compound Name6-ethylidenehexadecane
PubChem CID169207706
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name6-ethylidenehexadecane
SMILESCC=C(CCCCC)CCCCCCCCCC
InChIInChI=1S/C18H36/c1-4-7-9-10-11-12-13-15-17-18(6-3)16-14-8-5-2/h6H,4-5,7-17H2,1-3H3
InChIKeyKHLUDRVYXLVQPU-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
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-ethylidene-2-methyloctadecane
CID 173360395
2-hexyldec-1-en-1-ol
CID 85340680
17-ethylidenepentatriaconta-4,7,26,29-tetraene
CID 90788931
(3E)-3-ethylideneheptan-1-ol
CID 134993443
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(Z)-pentadec-2-en-3-ol
CID 141060609
(E)-3-methyltridec-2-ene
CID 22000795
5-butylicos-4-ene
CID 54084142
[(E)-2-butyloct-1-enyl]-trimethylsilane
CID 10037319
(E)-5-butyltridec-4-ene
CID 12531554
6-methylidenedodecane
CID 21453027

Frequently Asked Questions

What is the IUPAC name of 6-ethylidenehexadecane?
The IUPAC name of 6-ethylidenehexadecane (CID 169207706) is 6-ethylidenehexadecane.
What is the SMILES notation for 6-ethylidenehexadecane?
The canonical SMILES for 6-ethylidenehexadecane is CC=C(CCCCC)CCCCCCCCCC.
What is the InChIKey of 6-ethylidenehexadecane?
The InChIKey is KHLUDRVYXLVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-7-9-10-11-12-13-15-17-18(6-3)16-14-8-5-2/h6H,4-5,7-17H2,1-3H3.
What are the key properties of 6-ethylidenehexadecane?
6-ethylidenehexadecane has a molecular weight of 252.49 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidenehexadecane is sourced from PubChem (CID 169207706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).