2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one

C14H24O2 — CID 146658939

IUPAC2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one
SMILESC=C(C)C(=O)C(C)(CC)OCCC=C(C)C
InChIInChI=1S/C14H24O2/c1-7-14(6,13(15)12(4)5)16-10-8-9-11(2)3/h9H,4,7-8,10H2,1-3,5-6H3
InChIKeyOYVTWBUTVODETJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds7

About 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one

2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one (PubChem CID 146658939) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one.

Molecular Properties

Compound Name2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one
PubChem CID146658939
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one
SMILESC=C(C)C(=O)C(C)(CC)OCCC=C(C)C
InChIInChI=1S/C14H24O2/c1-7-14(6,13(15)12(4)5)16-10-8-9-11(2)3/h9H,4,7-8,10H2,1-3,5-6H3
InChIKeyOYVTWBUTVODETJ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one?
The IUPAC name of 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one (CID 146658939) is 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one.
What is the SMILES notation for 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one?
The canonical SMILES for 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one is C=C(C)C(=O)C(C)(CC)OCCC=C(C)C.
What is the InChIKey of 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one?
The InChIKey is OYVTWBUTVODETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-7-14(6,13(15)12(4)5)16-10-8-9-11(2)3/h9H,4,7-8,10H2,1-3,5-6H3.
What are the key properties of 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one?
2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one has a molecular weight of 224.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(4-methylpent-3-enoxy)hex-1-en-3-one is sourced from PubChem (CID 146658939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).