methane;5-methoxy-2-methylpent-1-en-3-one

C8H16O2 — CID 158997201

IUPACmethane;5-methoxy-2-methylpent-1-en-3-one
SMILESC.C=C(C)C(=O)CCOC
InChIInChI=1S/C7H12O2.CH4/c1-6(2)7(8)4-5-9-3;/h1,4-5H2,2-3H3;1H4
InChIKeyJQWOBJRPIYYERF-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.80
Rot. Bonds4

About methane;5-methoxy-2-methylpent-1-en-3-one

methane;5-methoxy-2-methylpent-1-en-3-one (PubChem CID 158997201) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is methane;5-methoxy-2-methylpent-1-en-3-one.

Molecular Properties

Compound Namemethane;5-methoxy-2-methylpent-1-en-3-one
PubChem CID158997201
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namemethane;5-methoxy-2-methylpent-1-en-3-one
SMILESC.C=C(C)C(=O)CCOC
InChIInChI=1S/C7H12O2.CH4/c1-6(2)7(8)4-5-9-3;/h1,4-5H2,2-3H3;1H4
InChIKeyJQWOBJRPIYYERF-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methane;5-methoxy-2-methylpent-1-en-3-one?
The IUPAC name of methane;5-methoxy-2-methylpent-1-en-3-one (CID 158997201) is methane;5-methoxy-2-methylpent-1-en-3-one.
What is the SMILES notation for methane;5-methoxy-2-methylpent-1-en-3-one?
The canonical SMILES for methane;5-methoxy-2-methylpent-1-en-3-one is C.C=C(C)C(=O)CCOC.
What is the InChIKey of methane;5-methoxy-2-methylpent-1-en-3-one?
The InChIKey is JQWOBJRPIYYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.CH4/c1-6(2)7(8)4-5-9-3;/h1,4-5H2,2-3H3;1H4.
What are the key properties of methane;5-methoxy-2-methylpent-1-en-3-one?
methane;5-methoxy-2-methylpent-1-en-3-one has a molecular weight of 144.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methoxy-2-methylpent-1-en-3-one is sourced from PubChem (CID 158997201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).