formaldehyde;2-methylpropane;propan-2-one

C9H20O3 — CID 157476549

IUPACformaldehyde;2-methylpropane;propan-2-one
SMILESC=O.C=O.CC(C)=O.CC(C)C
InChIInChI=1S/C4H10.C3H6O.2CH2O/c1-4(2)3;1-3(2)4;2*1-2/h4H,1-3H3;1-2H3;2*1H2
InChIKeyBVQTUGRQISWVRO-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.89
Rot. Bonds

About formaldehyde;2-methylpropane;propan-2-one

formaldehyde;2-methylpropane;propan-2-one (PubChem CID 157476549) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is formaldehyde;2-methylpropane;propan-2-one.

Molecular Properties

Compound Nameformaldehyde;2-methylpropane;propan-2-one
PubChem CID157476549
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameformaldehyde;2-methylpropane;propan-2-one
SMILESC=O.C=O.CC(C)=O.CC(C)C
InChIInChI=1S/C4H10.C3H6O.2CH2O/c1-4(2)3;1-3(2)4;2*1-2/h4H,1-3H3;1-2H3;2*1H2
InChIKeyBVQTUGRQISWVRO-UHFFFAOYSA-N
XLogP1.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze formaldehyde;2-methylpropane;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

formaldehyde;2-methylpropane
CID 157396277
ethene;propan-2-one;titanium
CID 175481260
carbonic acid;2-methylpropane
CID 87262286
aluminum;tris(propan-2-olate);propan-2-one
CID 21261065
[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
CID 167635935
argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539
silver bis(propan-2-one)
CID 71340648
2-methylpropanamide;bis(propan-2-one)
CID 174404145
propan-2-ylazanium acetate
CID 22623609

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methylpropane;propan-2-one?
The IUPAC name of formaldehyde;2-methylpropane;propan-2-one (CID 157476549) is formaldehyde;2-methylpropane;propan-2-one.
What is the SMILES notation for formaldehyde;2-methylpropane;propan-2-one?
The canonical SMILES for formaldehyde;2-methylpropane;propan-2-one is C=O.C=O.CC(C)=O.CC(C)C.
What is the InChIKey of formaldehyde;2-methylpropane;propan-2-one?
The InChIKey is BVQTUGRQISWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H6O.2CH2O/c1-4(2)3;1-3(2)4;2*1-2/h4H,1-3H3;1-2H3;2*1H2.
What are the key properties of formaldehyde;2-methylpropane;propan-2-one?
formaldehyde;2-methylpropane;propan-2-one has a molecular weight of 176.26 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methylpropane;propan-2-one is sourced from PubChem (CID 157476549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).