(Z)-5-hydroxyhept-4-en-3-one

C7H12O2 — CID 6912872

IUPAC(Z)-5-hydroxyhept-4-en-3-one
SMILESCCC(=O)/C=C(\O)CC
InChIInChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-
InChIKeyTVXLKVCZEAYIOO-WAYWQWQTSA-N
MW128.17 g/mol
LogP1.82
Rot. Bonds3

About (Z)-5-hydroxyhept-4-en-3-one

(Z)-5-hydroxyhept-4-en-3-one (PubChem CID 6912872) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-5-hydroxyhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-hydroxyhept-4-en-3-one
PubChem CID6912872
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(Z)-5-hydroxyhept-4-en-3-one
SMILESCCC(=O)/C=C(\O)CC
InChIInChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-
InChIKeyTVXLKVCZEAYIOO-WAYWQWQTSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-hydroxypent-2-enoic acid
CID 54693198
cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)
CID 5483737
4-deuterio-5-hydroxyhept-4-en-3-one
CID 158475256
1-cyclohexyl-4-hydroxyhex-3-en-2-one
CID 140897680
copper;propanoic acid
CID 5150615
(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
CID 178015163
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
copper;propanoic acid;hydrate
CID 87996764
3-trimethylsilylhept-3-ene-2,5-dione
CID 71320568
(4Z,6E)-5-chloroocta-4,6-dien-3-one
CID 15719472
acetic acid;azane;(E)-hex-3-en-3-ol
CID 173148729
nona-3,5-diene-2,7-dione
CID 74986099

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxyhept-4-en-3-one?
The IUPAC name of (Z)-5-hydroxyhept-4-en-3-one (CID 6912872) is (Z)-5-hydroxyhept-4-en-3-one.
What is the SMILES notation for (Z)-5-hydroxyhept-4-en-3-one?
The canonical SMILES for (Z)-5-hydroxyhept-4-en-3-one is CCC(=O)/C=C(\O)CC.
What is the InChIKey of (Z)-5-hydroxyhept-4-en-3-one?
The InChIKey is TVXLKVCZEAYIOO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-5-hydroxyhept-4-en-3-one?
(Z)-5-hydroxyhept-4-en-3-one has a molecular weight of 128.17 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxyhept-4-en-3-one is sourced from PubChem (CID 6912872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).