(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one

C15H26O3 — CID 158336786

IUPAC(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one
SMILESC/C=C(/C)C(C)=O.C/C=C(\C)C(C)=O.CC(C)=O
InChIInChI=1S/2C6H10O.C3H6O/c2*1-4-5(2)6(3)7;1-3(2)4/h2*4H,1-3H3;1-2H3/b5-4+;5-4-;
InChIKeyGQRICJVFEGEWNG-CDEMTMJJSA-N
MW254.37 g/mol
LogP3.68
Rot. Bonds2

About (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one

(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one (PubChem CID 158336786) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one.

Molecular Properties

Compound Name(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one
PubChem CID158336786
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one
SMILESC/C=C(/C)C(C)=O.C/C=C(\C)C(C)=O.CC(C)=O
InChIInChI=1S/2C6H10O.C3H6O/c2*1-4-5(2)6(3)7;1-3(2)4/h2*4H,1-3H3;1-2H3/b5-4+;5-4-;
InChIKeyGQRICJVFEGEWNG-CDEMTMJJSA-N
XLogP3.68
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
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 (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one?
The IUPAC name of (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one (CID 158336786) is (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one.
What is the SMILES notation for (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one?
The canonical SMILES for (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one is C/C=C(/C)C(C)=O.C/C=C(\C)C(C)=O.CC(C)=O.
What is the InChIKey of (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one?
The InChIKey is GQRICJVFEGEWNG-CDEMTMJJSA-N. The full InChI is InChI=1S/2C6H10O.C3H6O/c2*1-4-5(2)6(3)7;1-3(2)4/h2*4H,1-3H3;1-2H3/b5-4+;5-4-;.
What are the key properties of (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one?
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one;propan-2-one is sourced from PubChem (CID 158336786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).