(Z)-oct-2-en-4-yne

C8H12 — CID 5367022

IUPAC(Z)-oct-2-en-4-yne
SMILESC/C=C\C#CCCC
InChIInChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
InChIKeyDDENUGDURIGJJK-HYXAFXHYSA-N
MW108.18 g/mol
LogP2.37
Rot. Bonds1

About (Z)-oct-2-en-4-yne

(Z)-oct-2-en-4-yne (PubChem CID 5367022) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (Z)-oct-2-en-4-yne.

Molecular Properties

Compound Name(Z)-oct-2-en-4-yne
PubChem CID5367022
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(Z)-oct-2-en-4-yne
SMILESC/C=C\C#CCCC
InChIInChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
InChIKeyDDENUGDURIGJJK-HYXAFXHYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.37
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)-non-2-en-4-yne
CID 5367387
dec-2-en-4-yne
CID 54142868
(E)-hex-4-en-2-yn-1-ol
CID 10996965
(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
CID 44889177
dec-4-en-6-yne
CID 556417
(7E)-nona-1,7-dien-5-yne
CID 15529252
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
hex-2-ynethial
CID 56991386
non-2-en-4,7-diyne
CID 123643163
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
(Z)-N,N-dipropylpent-3-en-1-yn-1-amine
CID 23268221
(Z)-heptadec-8-en-6-yne
CID 101260338

Frequently Asked Questions

What is the IUPAC name of (Z)-oct-2-en-4-yne?
The IUPAC name of (Z)-oct-2-en-4-yne (CID 5367022) is (Z)-oct-2-en-4-yne.
What is the SMILES notation for (Z)-oct-2-en-4-yne?
The canonical SMILES for (Z)-oct-2-en-4-yne is C/C=C\C#CCCC.
What is the InChIKey of (Z)-oct-2-en-4-yne?
The InChIKey is DDENUGDURIGJJK-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-.
What are the key properties of (Z)-oct-2-en-4-yne?
(Z)-oct-2-en-4-yne has a molecular weight of 108.18 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-2-en-4-yne is sourced from PubChem (CID 5367022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).