3-(2-methylprop-2-enoxy)hexan-2-one

C10H18O2 — CID 143554575

IUPAC3-(2-methylprop-2-enoxy)hexan-2-one
SMILESC=C(C)COC(CCC)C(C)=O
InChIInChI=1S/C10H18O2/c1-5-6-10(9(4)11)12-7-8(2)3/h10H,2,5-7H2,1,3-4H3
InChIKeyAUIIDTRKNLFZJV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About 3-(2-methylprop-2-enoxy)hexan-2-one

3-(2-methylprop-2-enoxy)hexan-2-one (PubChem CID 143554575) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)hexan-2-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)hexan-2-one
PubChem CID143554575
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(2-methylprop-2-enoxy)hexan-2-one
SMILESC=C(C)COC(CCC)C(C)=O
InChIInChI=1S/C10H18O2/c1-5-6-10(9(4)11)12-7-8(2)3/h10H,2,5-7H2,1,3-4H3
InChIKeyAUIIDTRKNLFZJV-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylprop-2-enoxy)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-(2-methylprop-2-enoxy)hexan-2-one;hydrate
CID 143554574
3-(2-oxohexan-3-yloxy)propanenitrile
CID 44720972
4-ethoxy-2-methylhept-1-en-3-one
CID 116707899
3-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxyhexan-2-one
CID 144994967
2,2-bis(2-methylprop-2-enoxy)acetic acid
CID 139999943
bis(2-methylprop-2-enyl) 2-pentan-2-ylpropanedioate
CID 130210149
diethoxy-[1-(2-methylprop-2-enoxy)butyl]silane
CID 172997108
3-(2-methylprop-2-enoxy)pentane
CID 123638560
2-oxohexan-3-yl N,N-dimethylcarbamate
CID 135010538
3-ethoxyundecan-2-one
CID 10262699
3-hydroperoxy-2-methylhex-1-ene
CID 12949710
3-methoxy-2-methylhex-1-ene
CID 123417422

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)hexan-2-one?
The IUPAC name of 3-(2-methylprop-2-enoxy)hexan-2-one (CID 143554575) is 3-(2-methylprop-2-enoxy)hexan-2-one.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)hexan-2-one?
The canonical SMILES for 3-(2-methylprop-2-enoxy)hexan-2-one is C=C(C)COC(CCC)C(C)=O.
What is the InChIKey of 3-(2-methylprop-2-enoxy)hexan-2-one?
The InChIKey is AUIIDTRKNLFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-10(9(4)11)12-7-8(2)3/h10H,2,5-7H2,1,3-4H3.
What are the key properties of 3-(2-methylprop-2-enoxy)hexan-2-one?
3-(2-methylprop-2-enoxy)hexan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)hexan-2-one is sourced from PubChem (CID 143554575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).