(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione

C10H16O3 — CID 134843577

IUPAC(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione
SMILESCCC(=O)/C=C\C(=O)C(C)(O)CC
InChIInChI=1S/C10H16O3/c1-4-8(11)6-7-9(12)10(3,13)5-2/h6-7,13H,4-5H2,1-3H3/b7-6-
InChIKeyNZCYEZOOEHWTFD-SREVYHEPSA-N
MW184.23 g/mol
LogP1.25
Rot. Bonds5

About (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione

(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione (PubChem CID 134843577) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione.

Molecular Properties

Compound Name(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione
PubChem CID134843577
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione
SMILESCCC(=O)/C=C\C(=O)C(C)(O)CC
InChIInChI=1S/C10H16O3/c1-4-8(11)6-7-9(12)10(3,13)5-2/h6-7,13H,4-5H2,1-3H3/b7-6-
InChIKeyNZCYEZOOEHWTFD-SREVYHEPSA-N
XLogP1.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione?
The IUPAC name of (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione (CID 134843577) is (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione.
What is the SMILES notation for (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione?
The canonical SMILES for (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione is CCC(=O)/C=C\C(=O)C(C)(O)CC.
What is the InChIKey of (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione?
The InChIKey is NZCYEZOOEHWTFD-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-8(11)6-7-9(12)10(3,13)5-2/h6-7,13H,4-5H2,1-3H3/b7-6-.
What are the key properties of (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione?
(Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione has a molecular weight of 184.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-7-methylnon-4-ene-3,6-dione is sourced from PubChem (CID 134843577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).