acetaldehyde;methane;methyl acetate

C7H18O3 — CID 157361598

IUPACacetaldehyde;methane;methyl acetate
SMILESC.C.CC=O.COC(C)=O
InChIInChI=1S/C3H6O2.C2H4O.2CH4/c1-3(4)5-2;1-2-3;;/h1-2H3;2H,1H3;2*1H4
InChIKeyBIRXEJXMFSTFAP-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.66
Rot. Bonds

About acetaldehyde;methane;methyl acetate

acetaldehyde;methane;methyl acetate (PubChem CID 157361598) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is acetaldehyde;methane;methyl acetate.

Molecular Properties

Compound Nameacetaldehyde;methane;methyl acetate
PubChem CID157361598
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Nameacetaldehyde;methane;methyl acetate
SMILESC.C.CC=O.COC(C)=O
InChIInChI=1S/C3H6O2.C2H4O.2CH4/c1-3(4)5-2;1-2-3;;/h1-2H3;2H,1H3;2*1H4
InChIKeyBIRXEJXMFSTFAP-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;methyl acetate
CID 162094565
methane;methyl acetate
CID 158871569
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780
methyl acetate;ruthenium
CID 160799101
methyl acetate;titanium
CID 87665287
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
acetaldehyde;methane;propan-2-one
CID 159068439
CID 159985177
CID 159985177
deuteride;methyl acetate;hydrate
CID 160772266
tetrakis(cyclohexane);methyl acetate
CID 159246653

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;methane;methyl acetate?
The IUPAC name of acetaldehyde;methane;methyl acetate (CID 157361598) is acetaldehyde;methane;methyl acetate.
What is the SMILES notation for acetaldehyde;methane;methyl acetate?
The canonical SMILES for acetaldehyde;methane;methyl acetate is C.C.CC=O.COC(C)=O.
What is the InChIKey of acetaldehyde;methane;methyl acetate?
The InChIKey is BIRXEJXMFSTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H4O.2CH4/c1-3(4)5-2;1-2-3;;/h1-2H3;2H,1H3;2*1H4.
What are the key properties of acetaldehyde;methane;methyl acetate?
acetaldehyde;methane;methyl acetate has a molecular weight of 150.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methane;methyl acetate is sourced from PubChem (CID 157361598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).