(E)-4-methyldec-3-en-5-one

C11H20O — CID 23137209

IUPAC(E)-4-methyldec-3-en-5-one
SMILESCC/C=C(\C)C(=O)CCCCC
InChIInChI=1S/C11H20O/c1-4-6-7-9-11(12)10(3)8-5-2/h8H,4-7,9H2,1-3H3/b10-8+
InChIKeyVPGZKDXGOZRHSB-CSKARUKUSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds6

About (E)-4-methyldec-3-en-5-one

(E)-4-methyldec-3-en-5-one (PubChem CID 23137209) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-4-methyldec-3-en-5-one.

Molecular Properties

Compound Name(E)-4-methyldec-3-en-5-one
PubChem CID23137209
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E)-4-methyldec-3-en-5-one
SMILESCC/C=C(\C)C(=O)CCCCC
InChIInChI=1S/C11H20O/c1-4-6-7-9-11(12)10(3)8-5-2/h8H,4-7,9H2,1-3H3/b10-8+
InChIKeyVPGZKDXGOZRHSB-CSKARUKUSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyldec-3-en-5-one?
The IUPAC name of (E)-4-methyldec-3-en-5-one (CID 23137209) is (E)-4-methyldec-3-en-5-one.
What is the SMILES notation for (E)-4-methyldec-3-en-5-one?
The canonical SMILES for (E)-4-methyldec-3-en-5-one is CC/C=C(\C)C(=O)CCCCC.
What is the InChIKey of (E)-4-methyldec-3-en-5-one?
The InChIKey is VPGZKDXGOZRHSB-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-7-9-11(12)10(3)8-5-2/h8H,4-7,9H2,1-3H3/b10-8+.
What are the key properties of (E)-4-methyldec-3-en-5-one?
(E)-4-methyldec-3-en-5-one has a molecular weight of 168.28 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyldec-3-en-5-one is sourced from PubChem (CID 23137209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).