(E)-4-ethynyldec-5-ene

C12H20 — CID 5367312

IUPAC(E)-4-ethynyldec-5-ene
SMILESC#CC(/C=C/CCCC)CCC
InChIInChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h3,9,11-12H,4-5,7-8,10H2,1-2H3/b11-9+
InChIKeyZYWLODQNXNNHOV-PKNBQFBNSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds6

About (E)-4-ethynyldec-5-ene

(E)-4-ethynyldec-5-ene (PubChem CID 5367312) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (E)-4-ethynyldec-5-ene.

Molecular Properties

Compound Name(E)-4-ethynyldec-5-ene
PubChem CID5367312
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(E)-4-ethynyldec-5-ene
SMILESC#CC(/C=C/CCCC)CCC
InChIInChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h3,9,11-12H,4-5,7-8,10H2,1-2H3/b11-9+
InChIKeyZYWLODQNXNNHOV-PKNBQFBNSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethynyldec-5-ene?
The IUPAC name of (E)-4-ethynyldec-5-ene (CID 5367312) is (E)-4-ethynyldec-5-ene.
What is the SMILES notation for (E)-4-ethynyldec-5-ene?
The canonical SMILES for (E)-4-ethynyldec-5-ene is C#CC(/C=C/CCCC)CCC.
What is the InChIKey of (E)-4-ethynyldec-5-ene?
The InChIKey is ZYWLODQNXNNHOV-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h3,9,11-12H,4-5,7-8,10H2,1-2H3/b11-9+.
What are the key properties of (E)-4-ethynyldec-5-ene?
(E)-4-ethynyldec-5-ene has a molecular weight of 164.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethynyldec-5-ene is sourced from PubChem (CID 5367312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).