ethane;propane;1-propoxypropane

C11H28O — CID 143757970

IUPACethane;propane;1-propoxypropane
SMILESCC.CCC.CCCOCCC
InChIInChI=1S/C6H14O.C3H8.C2H6/c1-3-5-7-6-4-2;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCKWLDZJKCPURQZ-UHFFFAOYSA-N
MW176.34 g/mol
LogP4.27
Rot. Bonds4

About ethane;propane;1-propoxypropane

ethane;propane;1-propoxypropane (PubChem CID 143757970) has the molecular formula C11H28O and a molecular weight of 176.34 g/mol. Its IUPAC name is ethane;propane;1-propoxypropane.

Molecular Properties

Compound Nameethane;propane;1-propoxypropane
PubChem CID143757970
Molecular FormulaC11H28O
Molecular Weight176.34 g/mol
Exact Mass176.21
IUPAC Nameethane;propane;1-propoxypropane
SMILESCC.CCC.CCCOCCC
InChIInChI=1S/C6H14O.C3H8.C2H6/c1-3-5-7-6-4-2;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCKWLDZJKCPURQZ-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
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azane;1-propoxybutane
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1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
methane;1-propoxybutane
CID 162202436
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
CID 59269676
CID 59269676
pentane;1-propoxypentane
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2,3-dimethyl-1,4-dipropoxybut-2-ene
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Frequently Asked Questions

What is the IUPAC name of ethane;propane;1-propoxypropane?
The IUPAC name of ethane;propane;1-propoxypropane (CID 143757970) is ethane;propane;1-propoxypropane.
What is the SMILES notation for ethane;propane;1-propoxypropane?
The canonical SMILES for ethane;propane;1-propoxypropane is CC.CCC.CCCOCCC.
What is the InChIKey of ethane;propane;1-propoxypropane?
The InChIKey is CKWLDZJKCPURQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H8.C2H6/c1-3-5-7-6-4-2;1-3-2;1-2/h3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;1-propoxypropane?
ethane;propane;1-propoxypropane has a molecular weight of 176.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;1-propoxypropane is sourced from PubChem (CID 143757970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).