(E)-4-ethynyloct-4-ene

C10H16 — CID 10606792

IUPAC(E)-4-ethynyloct-4-ene
SMILESC#C/C(=C/CCC)CCC
InChIInChI=1S/C10H16/c1-4-7-9-10(6-3)8-5-2/h3,9H,4-5,7-8H2,1-2H3/b10-9-
InChIKeyUKBFOLTWUZMZKM-KTKRTIGZSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds4

About (E)-4-ethynyloct-4-ene

(E)-4-ethynyloct-4-ene (PubChem CID 10606792) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (E)-4-ethynyloct-4-ene.

Molecular Properties

Compound Name(E)-4-ethynyloct-4-ene
PubChem CID10606792
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(E)-4-ethynyloct-4-ene
SMILESC#C/C(=C/CCC)CCC
InChIInChI=1S/C10H16/c1-4-7-9-10(6-3)8-5-2/h3,9H,4-5,7-8H2,1-2H3/b10-9-
InChIKeyUKBFOLTWUZMZKM-KTKRTIGZSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethynyloct-4-ene?
The IUPAC name of (E)-4-ethynyloct-4-ene (CID 10606792) is (E)-4-ethynyloct-4-ene.
What is the SMILES notation for (E)-4-ethynyloct-4-ene?
The canonical SMILES for (E)-4-ethynyloct-4-ene is C#C/C(=C/CCC)CCC.
What is the InChIKey of (E)-4-ethynyloct-4-ene?
The InChIKey is UKBFOLTWUZMZKM-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H16/c1-4-7-9-10(6-3)8-5-2/h3,9H,4-5,7-8H2,1-2H3/b10-9-.
What are the key properties of (E)-4-ethynyloct-4-ene?
(E)-4-ethynyloct-4-ene has a molecular weight of 136.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethynyloct-4-ene is sourced from PubChem (CID 10606792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).