acetaldehyde;formaldehyde;2-methylpropane

C7H16O2 — CID 157456500

IUPACacetaldehyde;formaldehyde;2-methylpropane
SMILESC=O.CC(C)C.CC=O
InChIInChI=1S/C4H10.C2H4O.CH2O/c1-4(2)3;1-2-3;1-2/h4H,1-3H3;2H,1H3;1H2
InChIKeyBTKLAKKTUBMKMV-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.68
Rot. Bonds

About acetaldehyde;formaldehyde;2-methylpropane

acetaldehyde;formaldehyde;2-methylpropane (PubChem CID 157456500) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is acetaldehyde;formaldehyde;2-methylpropane.

Molecular Properties

Compound Nameacetaldehyde;formaldehyde;2-methylpropane
PubChem CID157456500
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameacetaldehyde;formaldehyde;2-methylpropane
SMILESC=O.CC(C)C.CC=O
InChIInChI=1S/C4H10.C2H4O.CH2O/c1-4(2)3;1-2-3;1-2/h4H,1-3H3;2H,1H3;1H2
InChIKeyBTKLAKKTUBMKMV-UHFFFAOYSA-N
XLogP1.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;formaldehyde;2-methylpropane?
The IUPAC name of acetaldehyde;formaldehyde;2-methylpropane (CID 157456500) is acetaldehyde;formaldehyde;2-methylpropane.
What is the SMILES notation for acetaldehyde;formaldehyde;2-methylpropane?
The canonical SMILES for acetaldehyde;formaldehyde;2-methylpropane is C=O.CC(C)C.CC=O.
What is the InChIKey of acetaldehyde;formaldehyde;2-methylpropane?
The InChIKey is BTKLAKKTUBMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H4O.CH2O/c1-4(2)3;1-2-3;1-2/h4H,1-3H3;2H,1H3;1H2.
What are the key properties of acetaldehyde;formaldehyde;2-methylpropane?
acetaldehyde;formaldehyde;2-methylpropane has a molecular weight of 132.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formaldehyde;2-methylpropane is sourced from PubChem (CID 157456500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).