4-ethynyloct-4-ene

C10H16 — CID 85203899

IUPAC4-ethynyloct-4-ene
SMILESC#CC(=CCCC)CCC
InChIInChI=1S/C10H16/c1-4-7-9-10(6-3)8-5-2/h3,9H,4-5,7-8H2,1-2H3
InChIKeyUKBFOLTWUZMZKM-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds4

About 4-ethynyloct-4-ene

4-ethynyloct-4-ene (PubChem CID 85203899) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-ethynyloct-4-ene.

Molecular Properties

Compound Name4-ethynyloct-4-ene
PubChem CID85203899
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-ethynyloct-4-ene
SMILESC#CC(=CCCC)CCC
InChIInChI=1S/C10H16/c1-4-7-9-10(6-3)8-5-2/h3,9H,4-5,7-8H2,1-2H3
InChIKeyUKBFOLTWUZMZKM-UHFFFAOYSA-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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Related Compounds

(E)-4-tert-butyloct-4-ene
CID 140632550
(E)-4-bromooct-4-ene
CID 13093303
pent-1-ene-1,1-diol
CID 21473005
triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane
CID 155264270
diethyl-[(Z)-oct-4-en-4-yl]alumane
CID 177486544
3-propylhept-3-en-2-one
CID 537652
2,2,3-trimethylhept-3-ene
CID 73411222
2-methylhex-2-ene;oxalonitrile
CID 174896444
(E,3R)-2-methyl-4-propyloct-4-en-3-ol
CID 11019550
(E)-2-methyl-4-propyloct-4-en-3-ol
CID 102155759
(Z)-oct-4-en-1-yn-3-one
CID 89176441
oct-4-ene-4-sulfonic acid
CID 54258597

Frequently Asked Questions

What is the IUPAC name of 4-ethynyloct-4-ene?
The IUPAC name of 4-ethynyloct-4-ene (CID 85203899) is 4-ethynyloct-4-ene.
What is the SMILES notation for 4-ethynyloct-4-ene?
The canonical SMILES for 4-ethynyloct-4-ene is C#CC(=CCCC)CCC.
What is the InChIKey of 4-ethynyloct-4-ene?
The InChIKey is UKBFOLTWUZMZKM-UHFFFAOYSA-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.
What are the key properties of 4-ethynyloct-4-ene?
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 4-ethynyloct-4-ene is sourced from PubChem (CID 85203899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).