3-methyl-1-propan-2-yloxypentan-2-one

C9H18O2 — CID 79567978

IUPAC3-methyl-1-propan-2-yloxypentan-2-one
SMILESCCC(C)C(=O)COC(C)C
InChIInChI=1S/C9H18O2/c1-5-8(4)9(10)6-11-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyGAHLHVHOSFBRSB-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.03
Rot. Bonds5

About 3-methyl-1-propan-2-yloxypentan-2-one

3-methyl-1-propan-2-yloxypentan-2-one (PubChem CID 79567978) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxypentan-2-one
PubChem CID79567978
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methyl-1-propan-2-yloxypentan-2-one
SMILESCCC(C)C(=O)COC(C)C
InChIInChI=1S/C9H18O2/c1-5-8(4)9(10)6-11-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyGAHLHVHOSFBRSB-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-propan-2-yloxypentan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxypentan-2-one?
The IUPAC name of 3-methyl-1-propan-2-yloxypentan-2-one (CID 79567978) is 3-methyl-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 3-methyl-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 3-methyl-1-propan-2-yloxypentan-2-one is CCC(C)C(=O)COC(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yloxypentan-2-one?
The InChIKey is GAHLHVHOSFBRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8(4)9(10)6-11-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methyl-1-propan-2-yloxypentan-2-one?
3-methyl-1-propan-2-yloxypentan-2-one has a molecular weight of 158.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 79567978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).