ethane-1,1-diol;ethanol;methane;propane

C8H24O3 — CID 161040342

IUPACethane-1,1-diol;ethanol;methane;propane
SMILESC.CC(O)O.CCC.CCO
InChIInChI=1S/C3H8.C2H6O2.C2H6O.CH4/c1-3-2;1-2(3)4;1-2-3;/h3H2,1-2H3;2-4H,1H3;3H,2H2,1H3;1H4
InChIKeyUAUKCBQUUHBEBL-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.37
Rot. Bonds

About ethane-1,1-diol;ethanol;methane;propane

ethane-1,1-diol;ethanol;methane;propane (PubChem CID 161040342) has the molecular formula C8H24O3 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane-1,1-diol;ethanol;methane;propane.

Molecular Properties

Compound Nameethane-1,1-diol;ethanol;methane;propane
PubChem CID161040342
Molecular FormulaC8H24O3
Molecular Weight168.28 g/mol
Exact Mass168.17
IUPAC Nameethane-1,1-diol;ethanol;methane;propane
SMILESC.CC(O)O.CCC.CCO
InChIInChI=1S/C3H8.C2H6O2.C2H6O.CH4/c1-3-2;1-2(3)4;1-2-3;/h3H2,1-2H3;2-4H,1H3;3H,2H2,1H3;1H4
InChIKeyUAUKCBQUUHBEBL-UHFFFAOYSA-N
XLogP1.37
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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ethanol;methane;molecular iodine
CID 160622890
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Frequently Asked Questions

What is the IUPAC name of ethane-1,1-diol;ethanol;methane;propane?
The IUPAC name of ethane-1,1-diol;ethanol;methane;propane (CID 161040342) is ethane-1,1-diol;ethanol;methane;propane.
What is the SMILES notation for ethane-1,1-diol;ethanol;methane;propane?
The canonical SMILES for ethane-1,1-diol;ethanol;methane;propane is C.CC(O)O.CCC.CCO.
What is the InChIKey of ethane-1,1-diol;ethanol;methane;propane?
The InChIKey is UAUKCBQUUHBEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6O2.C2H6O.CH4/c1-3-2;1-2(3)4;1-2-3;/h3H2,1-2H3;2-4H,1H3;3H,2H2,1H3;1H4.
What are the key properties of ethane-1,1-diol;ethanol;methane;propane?
ethane-1,1-diol;ethanol;methane;propane has a molecular weight of 168.28 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-diol;ethanol;methane;propane is sourced from PubChem (CID 161040342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).