butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one

C19H38O4 — CID 161207963

IUPACbutan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one
SMILESCC(=O)CC(C)C.CC(C)=O.CCC(C)=O.CCCCC(C)=O
InChIInChI=1S/2C6H12O.C4H8O.C3H6O/c1-5(2)4-6(3)7;1-3-4-5-6(2)7;1-3-4(2)5;1-3(2)4/h5H,4H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUVVXJJOYDWCIII-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.97
Rot. Bonds6

About butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one

butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one (PubChem CID 161207963) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one.

Molecular Properties

Compound Namebutan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one
PubChem CID161207963
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Namebutan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one
SMILESCC(=O)CC(C)C.CC(C)=O.CCC(C)=O.CCCCC(C)=O
InChIInChI=1S/2C6H12O.C4H8O.C3H6O/c1-5(2)4-6(3)7;1-3-4-5-6(2)7;1-3-4(2)5;1-3(2)4/h5H,4H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUVVXJJOYDWCIII-UHFFFAOYSA-N
XLogP4.97
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

butan-2-one;butyl acetate;4-methylpentan-2-one
CID 165016573
4-methylpentan-2-one;propane
CID 22138072
ethene;hexan-2-one
CID 88765599
hexan-2-one;molecular nitrogen
CID 174442577
bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
CID 158984879
methanol;4-methylpentan-2-one;hydrate
CID 87964162
2-methylpentan-3-one;4-methylpentan-2-one
CID 87147995
butan-1-ol;hexan-2-one
CID 20532115
2-methylhexadecan-4-one
CID 63411798
3-methylbutanoic acid;pentanoic acid
CID 87150377
acetic acid;(2R)-hexan-2-ol;hexan-2-one
CID 118050364
octadecakis(hexane);nonan-2-one
CID 173226284

Frequently Asked Questions

What is the IUPAC name of butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one?
The IUPAC name of butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one (CID 161207963) is butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one.
What is the SMILES notation for butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one?
The canonical SMILES for butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one is CC(=O)CC(C)C.CC(C)=O.CCC(C)=O.CCCCC(C)=O.
What is the InChIKey of butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one?
The InChIKey is UVVXJJOYDWCIII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O.C4H8O.C3H6O/c1-5(2)4-6(3)7;1-3-4-5-6(2)7;1-3-4(2)5;1-3(2)4/h5H,4H2,1-3H3;3-5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one?
butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one has a molecular weight of 330.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;hexan-2-one;4-methylpentan-2-one;propan-2-one is sourced from PubChem (CID 161207963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).