ethane-1,2-diol;methane;1-propoxypropane

C9H24O3 — CID 19065615

IUPACethane-1,2-diol;methane;1-propoxypropane
SMILESC.CCCOCCC.OCCO
InChIInChI=1S/C6H14O.C2H6O2.CH4/c1-3-5-7-6-4-2;3-1-2-4;/h3-6H2,1-2H3;3-4H,1-2H2;1H4
InChIKeyLAICNRHRSMEXBV-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.43
Rot. Bonds5

About ethane-1,2-diol;methane;1-propoxypropane

ethane-1,2-diol;methane;1-propoxypropane (PubChem CID 19065615) has the molecular formula C9H24O3 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane-1,2-diol;methane;1-propoxypropane.

Molecular Properties

Compound Nameethane-1,2-diol;methane;1-propoxypropane
PubChem CID19065615
Molecular FormulaC9H24O3
Molecular Weight180.29 g/mol
Exact Mass180.17
IUPAC Nameethane-1,2-diol;methane;1-propoxypropane
SMILESC.CCCOCCC.OCCO
InChIInChI=1S/C6H14O.C2H6O2.CH4/c1-3-5-7-6-4-2;3-1-2-4;/h3-6H2,1-2H3;3-4H,1-2H2;1H4
InChIKeyLAICNRHRSMEXBV-UHFFFAOYSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538
calcium;hydride;2-propoxyethanol
CID 174734380
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
1-(2-chloroethoxy)propane;propan-1-ol
CID 174902787
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
ethane;propane;1-propoxypropane
CID 143757970
methane;1-propoxybutane
CID 162202436

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methane;1-propoxypropane?
The IUPAC name of ethane-1,2-diol;methane;1-propoxypropane (CID 19065615) is ethane-1,2-diol;methane;1-propoxypropane.
What is the SMILES notation for ethane-1,2-diol;methane;1-propoxypropane?
The canonical SMILES for ethane-1,2-diol;methane;1-propoxypropane is C.CCCOCCC.OCCO.
What is the InChIKey of ethane-1,2-diol;methane;1-propoxypropane?
The InChIKey is LAICNRHRSMEXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H6O2.CH4/c1-3-5-7-6-4-2;3-1-2-4;/h3-6H2,1-2H3;3-4H,1-2H2;1H4.
What are the key properties of ethane-1,2-diol;methane;1-propoxypropane?
ethane-1,2-diol;methane;1-propoxypropane has a molecular weight of 180.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methane;1-propoxypropane is sourced from PubChem (CID 19065615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).