ethane;formyl formate;methane;prop-1-yne

C11H22O6 — CID 161437315

IUPACethane;formyl formate;methane;prop-1-yne
SMILESC.C.C#CC.CC.O=COC=O.O=COC=O
InChIInChI=1S/C3H4.2C2H2O3.C2H6.2CH4/c1-3-2;2*3-1-5-2-4;1-2;;/h1H,2H3;2*1-2H;1-2H3;2*1H4
InChIKeyVYUWAPQEPUGGLR-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.57
Rot. Bonds4

About ethane;formyl formate;methane;prop-1-yne

ethane;formyl formate;methane;prop-1-yne (PubChem CID 161437315) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethane;formyl formate;methane;prop-1-yne.

Molecular Properties

Compound Nameethane;formyl formate;methane;prop-1-yne
PubChem CID161437315
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Nameethane;formyl formate;methane;prop-1-yne
SMILESC.C.C#CC.CC.O=COC=O.O=COC=O
InChIInChI=1S/C3H4.2C2H2O3.C2H6.2CH4/c1-3-2;2*3-1-5-2-4;1-2;;/h1H,2H3;2*1-2H;1-2H3;2*1H4
InChIKeyVYUWAPQEPUGGLR-UHFFFAOYSA-N
XLogP1.57
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;formyl formate;methane;prop-1-yne 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

formyl formate
CID 90024423
formyl formate;hydrate
CID 158985007
methane;prop-1-yne
CID 157284750
acetylene;ethane;ethene;methane;prop-1-yne
CID 162268690
carbon dioxide;prop-1-yne
CID 161111477
ethane;methanethiol;prop-1-yne
CID 144528675
methane;methyl formate
CID 162150401
benzene;ethane;prop-1-yne
CID 90730719
ethyne;methane;prop-1-yne;uranium
CID 157366445
formyl formate;hexane;methanol
CID 159655348
acetaldehyde;ethane;methane
CID 159605506
but-2-yne;bis(prop-1-yne)
CID 159474531

Frequently Asked Questions

What is the IUPAC name of ethane;formyl formate;methane;prop-1-yne?
The IUPAC name of ethane;formyl formate;methane;prop-1-yne (CID 161437315) is ethane;formyl formate;methane;prop-1-yne.
What is the SMILES notation for ethane;formyl formate;methane;prop-1-yne?
The canonical SMILES for ethane;formyl formate;methane;prop-1-yne is C.C.C#CC.CC.O=COC=O.O=COC=O.
What is the InChIKey of ethane;formyl formate;methane;prop-1-yne?
The InChIKey is VYUWAPQEPUGGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.2C2H2O3.C2H6.2CH4/c1-3-2;2*3-1-5-2-4;1-2;;/h1H,2H3;2*1-2H;1-2H3;2*1H4.
What are the key properties of ethane;formyl formate;methane;prop-1-yne?
ethane;formyl formate;methane;prop-1-yne has a molecular weight of 250.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formyl formate;methane;prop-1-yne is sourced from PubChem (CID 161437315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).