(Z)-oct-4-en-1-yn-3-one

C8H10O — CID 89176441

IUPAC(Z)-oct-4-en-1-yn-3-one
SMILESC#CC(=O)/C=C\CCC
InChIInChI=1S/C8H10O/c1-3-5-6-7-8(9)4-2/h2,6-7H,3,5H2,1H3/b7-6-
InChIKeyDFOOBJJFSPZMLS-SREVYHEPSA-N
MW122.17 g/mol
LogP1.54
Rot. Bonds3

About (Z)-oct-4-en-1-yn-3-one

(Z)-oct-4-en-1-yn-3-one (PubChem CID 89176441) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-oct-4-en-1-yn-3-one.

Molecular Properties

Compound Name(Z)-oct-4-en-1-yn-3-one
PubChem CID89176441
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(Z)-oct-4-en-1-yn-3-one
SMILESC#CC(=O)/C=C\CCC
InChIInChI=1S/C8H10O/c1-3-5-6-7-8(9)4-2/h2,6-7H,3,5H2,1H3/b7-6-
InChIKeyDFOOBJJFSPZMLS-SREVYHEPSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
(E)-hex-2-enamide;hydrochloride
CID 141291310
N-chlorohex-2-enamide
CID 140536866
(E)-1-fluorohept-3-en-2-one
CID 71502223
S-ethyl (E)-hex-2-enethioate
CID 11400929
CID 90268379
CID 90268379
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004
N-propylhex-2-enamide
CID 88538823

Frequently Asked Questions

What is the IUPAC name of (Z)-oct-4-en-1-yn-3-one?
The IUPAC name of (Z)-oct-4-en-1-yn-3-one (CID 89176441) is (Z)-oct-4-en-1-yn-3-one.
What is the SMILES notation for (Z)-oct-4-en-1-yn-3-one?
The canonical SMILES for (Z)-oct-4-en-1-yn-3-one is C#CC(=O)/C=C\CCC.
What is the InChIKey of (Z)-oct-4-en-1-yn-3-one?
The InChIKey is DFOOBJJFSPZMLS-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10O/c1-3-5-6-7-8(9)4-2/h2,6-7H,3,5H2,1H3/b7-6-.
What are the key properties of (Z)-oct-4-en-1-yn-3-one?
(Z)-oct-4-en-1-yn-3-one has a molecular weight of 122.17 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-4-en-1-yn-3-one is sourced from PubChem (CID 89176441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).