1-hydroxypropan-2-one;methane

C4H10O2 — CID 159772503

IUPAC1-hydroxypropan-2-one;methane
SMILESC.CC(=O)CO
InChIInChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h4H,2H2,1H3;1H4
InChIKeyNGHIZIZYLUZQNZ-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.20
Rot. Bonds1

About 1-hydroxypropan-2-one;methane

1-hydroxypropan-2-one;methane (PubChem CID 159772503) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 1-hydroxypropan-2-one;methane.

Molecular Properties

Compound Name1-hydroxypropan-2-one;methane
PubChem CID159772503
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name1-hydroxypropan-2-one;methane
SMILESC.CC(=O)CO
InChIInChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h4H,2H2,1H3;1H4
InChIKeyNGHIZIZYLUZQNZ-UHFFFAOYSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-one;methane?
The IUPAC name of 1-hydroxypropan-2-one;methane (CID 159772503) is 1-hydroxypropan-2-one;methane.
What is the SMILES notation for 1-hydroxypropan-2-one;methane?
The canonical SMILES for 1-hydroxypropan-2-one;methane is C.CC(=O)CO.
What is the InChIKey of 1-hydroxypropan-2-one;methane?
The InChIKey is NGHIZIZYLUZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h4H,2H2,1H3;1H4.
What are the key properties of 1-hydroxypropan-2-one;methane?
1-hydroxypropan-2-one;methane has a molecular weight of 90.12 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-one;methane is sourced from PubChem (CID 159772503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).