3-ethyltetradeca-1,7-diene

C16H30 — CID 173182513

IUPAC3-ethyltetradeca-1,7-diene
SMILESC=CC(CC)CCCC=CCCCCCC
InChIInChI=1S/C16H30/c1-4-7-8-9-10-11-12-13-14-15-16(5-2)6-3/h5,11-12,16H,2,4,6-10,13-15H2,1,3H3
InChIKeyWWUHFERJCXWTFT-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.90
Rot. Bonds11

About 3-ethyltetradeca-1,7-diene

3-ethyltetradeca-1,7-diene (PubChem CID 173182513) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3-ethyltetradeca-1,7-diene.

Molecular Properties

Compound Name3-ethyltetradeca-1,7-diene
PubChem CID173182513
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3-ethyltetradeca-1,7-diene
SMILESC=CC(CC)CCCC=CCCCCCC
InChIInChI=1S/C16H30/c1-4-7-8-9-10-11-12-13-14-15-16(5-2)6-3/h5,11-12,16H,2,4,6-10,13-15H2,1,3H3
InChIKeyWWUHFERJCXWTFT-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.90
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

(3R)-3-ethyloct-1-ene
CID 50898077
3-ethylhept-1-ene
CID 12923943
10-ethenylnonadecane
CID 57244946
3-methyltrideca-1,7-diene
CID 173000004
ethane;9-ethenylheptadecane;octane
CID 168985515
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of 3-ethyltetradeca-1,7-diene?
The IUPAC name of 3-ethyltetradeca-1,7-diene (CID 173182513) is 3-ethyltetradeca-1,7-diene.
What is the SMILES notation for 3-ethyltetradeca-1,7-diene?
The canonical SMILES for 3-ethyltetradeca-1,7-diene is C=CC(CC)CCCC=CCCCCCC.
What is the InChIKey of 3-ethyltetradeca-1,7-diene?
The InChIKey is WWUHFERJCXWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-7-8-9-10-11-12-13-14-15-16(5-2)6-3/h5,11-12,16H,2,4,6-10,13-15H2,1,3H3.
What are the key properties of 3-ethyltetradeca-1,7-diene?
3-ethyltetradeca-1,7-diene has a molecular weight of 222.42 g/mol, XLogP of 5.90, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyltetradeca-1,7-diene is sourced from PubChem (CID 173182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).