ethane;formaldehyde;propane

C6H16O — CID 145216387

IUPACethane;formaldehyde;propane
SMILESC=O.CC.CCC
InChIInChI=1S/C3H8.C2H6.CH2O/c1-3-2;2*1-2/h3H2,1-2H3;1-2H3;1H2
InChIKeyVKIQNZXYGUIHNE-UHFFFAOYSA-N
MW104.19 g/mol
LogP2.26
Rot. Bonds

About ethane;formaldehyde;propane

ethane;formaldehyde;propane (PubChem CID 145216387) has the molecular formula C6H16O and a molecular weight of 104.19 g/mol. Its IUPAC name is ethane;formaldehyde;propane.

Molecular Properties

Compound Nameethane;formaldehyde;propane
PubChem CID145216387
Molecular FormulaC6H16O
Molecular Weight104.19 g/mol
Exact Mass104.12
IUPAC Nameethane;formaldehyde;propane
SMILESC=O.CC.CCC
InChIInChI=1S/C3H8.C2H6.CH2O/c1-3-2;2*1-2/h3H2,1-2H3;1-2H3;1H2
InChIKeyVKIQNZXYGUIHNE-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;propane?
The IUPAC name of ethane;formaldehyde;propane (CID 145216387) is ethane;formaldehyde;propane.
What is the SMILES notation for ethane;formaldehyde;propane?
The canonical SMILES for ethane;formaldehyde;propane is C=O.CC.CCC.
What is the InChIKey of ethane;formaldehyde;propane?
The InChIKey is VKIQNZXYGUIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6.CH2O/c1-3-2;2*1-2/h3H2,1-2H3;1-2H3;1H2.
What are the key properties of ethane;formaldehyde;propane?
ethane;formaldehyde;propane has a molecular weight of 104.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;propane is sourced from PubChem (CID 145216387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).