4-methyl-1-(2-methylpropoxy)pent-3-en-2-one

C10H18O2 — CID 135069525

IUPAC4-methyl-1-(2-methylpropoxy)pent-3-en-2-one
SMILESCC(C)=CC(=O)COCC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)5-10(11)7-12-6-9(3)4/h5,9H,6-7H2,1-4H3
InChIKeyIMXMOSOVLMXXPJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one

4-methyl-1-(2-methylpropoxy)pent-3-en-2-one (PubChem CID 135069525) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropoxy)pent-3-en-2-one
PubChem CID135069525
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methyl-1-(2-methylpropoxy)pent-3-en-2-one
SMILESCC(C)=CC(=O)COCC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)5-10(11)7-12-6-9(3)4/h5,9H,6-7H2,1-4H3
InChIKeyIMXMOSOVLMXXPJ-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
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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Related Compounds

3-methyl-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]but-2-enamide
CID 97016025
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
CID 171374936
CID 171374936
1-methoxy-3-(2-methylpropoxy)propan-2-one
CID 107507918
N-methyl-2-(2-methylpropoxy)acetamide
CID 145404647
lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid
CID 161153037
5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
2-(2-methylpropoxy)ethyl acetate
CID 520944
(4-methyl-2-oxopent-3-enyl) benzoate
CID 102183557
1-methoxy-2,5-dimethylhex-4-en-3-one
CID 130028350
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
1-cyclohexyl-2-(2-methylpropoxy)ethanone
CID 104751697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one?
The IUPAC name of 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one (CID 135069525) is 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one.
What is the SMILES notation for 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one?
The canonical SMILES for 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one is CC(C)=CC(=O)COCC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one?
The InChIKey is IMXMOSOVLMXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-10(11)7-12-6-9(3)4/h5,9H,6-7H2,1-4H3.
What are the key properties of 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one?
4-methyl-1-(2-methylpropoxy)pent-3-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropoxy)pent-3-en-2-one is sourced from PubChem (CID 135069525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).