(Z)-oct-5-en-2-one

C8H14O — CID 5352779

IUPAC(Z)-oct-5-en-2-one
SMILESCC/C=C\CCC(C)=O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyNBFKNCBRFJKDDR-PLNGDYQASA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds4

About (Z)-oct-5-en-2-one

(Z)-oct-5-en-2-one (PubChem CID 5352779) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-oct-5-en-2-one.

Molecular Properties

Compound Name(Z)-oct-5-en-2-one
PubChem CID5352779
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(Z)-oct-5-en-2-one
SMILESCC/C=C\CCC(C)=O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyNBFKNCBRFJKDDR-PLNGDYQASA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-oct-5-en-2-one?
The IUPAC name of (Z)-oct-5-en-2-one (CID 5352779) is (Z)-oct-5-en-2-one.
What is the SMILES notation for (Z)-oct-5-en-2-one?
The canonical SMILES for (Z)-oct-5-en-2-one is CC/C=C\CCC(C)=O.
What is the InChIKey of (Z)-oct-5-en-2-one?
The InChIKey is NBFKNCBRFJKDDR-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of (Z)-oct-5-en-2-one?
(Z)-oct-5-en-2-one has a molecular weight of 126.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-oct-5-en-2-one is sourced from PubChem (CID 5352779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).