butan-2-one;methane;propan-2-one

C9H22O2 — CID 159882043

IUPACbutan-2-one;methane;propan-2-one
SMILESC.C.CC(C)=O.CCC(C)=O
InChIInChI=1S/C4H8O.C3H6O.2CH4/c1-3-4(2)5;1-3(2)4;;/h3H2,1-2H3;1-2H3;2*1H4
InChIKeyNTQKYQWOBRPWNT-UHFFFAOYSA-N
MW162.27 g/mol
LogP2.85
Rot. Bonds1

About butan-2-one;methane;propan-2-one

butan-2-one;methane;propan-2-one (PubChem CID 159882043) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is butan-2-one;methane;propan-2-one.

Molecular Properties

Compound Namebutan-2-one;methane;propan-2-one
PubChem CID159882043
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Namebutan-2-one;methane;propan-2-one
SMILESC.C.CC(C)=O.CCC(C)=O
InChIInChI=1S/C4H8O.C3H6O.2CH4/c1-3-4(2)5;1-3(2)4;;/h3H2,1-2H3;1-2H3;2*1H4
InChIKeyNTQKYQWOBRPWNT-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butan-2-one;methane;propan-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

butan-2-one;methane;propan-2-one
CID 157260382
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
butan-2-one;methanol;hydrate
CID 18949731
acetylene;butan-2-one
CID 145415849
butan-2-one;oxotin
CID 57474512
butan-2-one;ethane;propane
CID 169173049
butane-2,3-dione;butan-2-one
CID 158086231
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
boric acid;butan-2-one
CID 88852757
butan-2-one;ethane;methanamine
CID 172563476
butan-2-one;ethanamine
CID 160998240

Frequently Asked Questions

What is the IUPAC name of butan-2-one;methane;propan-2-one?
The IUPAC name of butan-2-one;methane;propan-2-one (CID 159882043) is butan-2-one;methane;propan-2-one.
What is the SMILES notation for butan-2-one;methane;propan-2-one?
The canonical SMILES for butan-2-one;methane;propan-2-one is C.C.CC(C)=O.CCC(C)=O.
What is the InChIKey of butan-2-one;methane;propan-2-one?
The InChIKey is NTQKYQWOBRPWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O.2CH4/c1-3-4(2)5;1-3(2)4;;/h3H2,1-2H3;1-2H3;2*1H4.
What are the key properties of butan-2-one;methane;propan-2-one?
butan-2-one;methane;propan-2-one has a molecular weight of 162.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;methane;propan-2-one is sourced from PubChem (CID 159882043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).