(Z)-4,6-dihydroxyoct-3-en-2-one

C8H14O3 — CID 23542538

IUPAC(Z)-4,6-dihydroxyoct-3-en-2-one
SMILESCCC(O)C/C(O)=C/C(C)=O
InChIInChI=1S/C8H14O3/c1-3-7(10)5-8(11)4-6(2)9/h4,7,10-11H,3,5H2,1-2H3/b8-4-
InChIKeyYIRRQTTUYDDKGN-YWEYNIOJSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds4

About (Z)-4,6-dihydroxyoct-3-en-2-one

(Z)-4,6-dihydroxyoct-3-en-2-one (PubChem CID 23542538) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-4,6-dihydroxyoct-3-en-2-one.

Molecular Properties

Compound Name(Z)-4,6-dihydroxyoct-3-en-2-one
PubChem CID23542538
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(Z)-4,6-dihydroxyoct-3-en-2-one
SMILESCCC(O)C/C(O)=C/C(C)=O
InChIInChI=1S/C8H14O3/c1-3-7(10)5-8(11)4-6(2)9/h4,7,10-11H,3,5H2,1-2H3/b8-4-
InChIKeyYIRRQTTUYDDKGN-YWEYNIOJSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z,6S)-4,6-dihydroxy-7-isocyanohept-3-en-2-one
CID 157402016
3-hydroxypentanoic acid;methanol
CID 174973747
5-hydroxy-4-methylhept-3-en-2-one
CID 90770625
(E)-5-hydroxy-4-methylhept-3-en-2-one
CID 87291528
(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
CID 158804070
(Z,3S)-5-methylhept-5-en-3-ol
CID 97304128
acetic acid;butane-1,2-diol
CID 71357816
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
butan-2-one;pentan-3-ol
CID 159181592
bis(4-ethoxy-4-hydroxybut-3-en-2-one);bis(propan-2-ol);titanium
CID 137316213
(Z)-4-ethoxy-4-hydroxybut-3-en-2-one;(E)-4-ethoxy-4-hydroxybut-3-en-2-one;bis(propan-2-ol);titanium
CID 137156391
ethanol;bis(4-hydroxypent-3-en-2-one);propan-2-ol;titanium
CID 171034835

Frequently Asked Questions

What is the IUPAC name of (Z)-4,6-dihydroxyoct-3-en-2-one?
The IUPAC name of (Z)-4,6-dihydroxyoct-3-en-2-one (CID 23542538) is (Z)-4,6-dihydroxyoct-3-en-2-one.
What is the SMILES notation for (Z)-4,6-dihydroxyoct-3-en-2-one?
The canonical SMILES for (Z)-4,6-dihydroxyoct-3-en-2-one is CCC(O)C/C(O)=C/C(C)=O.
What is the InChIKey of (Z)-4,6-dihydroxyoct-3-en-2-one?
The InChIKey is YIRRQTTUYDDKGN-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7(10)5-8(11)4-6(2)9/h4,7,10-11H,3,5H2,1-2H3/b8-4-.
What are the key properties of (Z)-4,6-dihydroxyoct-3-en-2-one?
(Z)-4,6-dihydroxyoct-3-en-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,6-dihydroxyoct-3-en-2-one is sourced from PubChem (CID 23542538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).