(Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one

C11H20O2 — CID 118473565

IUPAC(Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one
SMILESCC(=O)C/C=C\CCOC(C)(C)C
InChIInChI=1S/C11H20O2/c1-10(12)8-6-5-7-9-13-11(2,3)4/h5-6H,7-9H2,1-4H3/b6-5-
InChIKeyCYZZSCQBYUTIRJ-WAYWQWQTSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds5

About (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one

(Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one (PubChem CID 118473565) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one.

Molecular Properties

Compound Name(Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one
PubChem CID118473565
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one
SMILESCC(=O)C/C=C\CCOC(C)(C)C
InChIInChI=1S/C11H20O2/c1-10(12)8-6-5-7-9-13-11(2,3)4/h5-6H,7-9H2,1-4H3/b6-5-
InChIKeyCYZZSCQBYUTIRJ-WAYWQWQTSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one?
The IUPAC name of (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one (CID 118473565) is (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one.
What is the SMILES notation for (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one?
The canonical SMILES for (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one is CC(=O)C/C=C\CCOC(C)(C)C.
What is the InChIKey of (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one?
The InChIKey is CYZZSCQBYUTIRJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(12)8-6-5-7-9-13-11(2,3)4/h5-6H,7-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one?
(Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(2-methylpropan-2-yl)oxy]hept-4-en-2-one is sourced from PubChem (CID 118473565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).