bis(propan-1-ol);bis(2-propoxyethanol)

C16H40O6 — CID 157411921

IUPACbis(propan-1-ol);bis(2-propoxyethanol)
SMILESCCCO.CCCO.CCCOCCO.CCCOCCO
InChIInChI=1S/2C5H12O2.2C3H8O/c2*1-2-4-7-5-3-6;2*1-2-3-4/h2*6H,2-5H2,1H3;2*4H,2-3H2,1H3
InChIKeyBOJSGKFMXKQFGS-UHFFFAOYSA-N
MW328.49 g/mol
LogP1.59
Rot. Bonds10

About bis(propan-1-ol);bis(2-propoxyethanol)

bis(propan-1-ol);bis(2-propoxyethanol) (PubChem CID 157411921) has the molecular formula C16H40O6 and a molecular weight of 328.49 g/mol. Its IUPAC name is bis(propan-1-ol);bis(2-propoxyethanol).

Molecular Properties

Compound Namebis(propan-1-ol);bis(2-propoxyethanol)
PubChem CID157411921
Molecular FormulaC16H40O6
Molecular Weight328.49 g/mol
Exact Mass328.28
IUPAC Namebis(propan-1-ol);bis(2-propoxyethanol)
SMILESCCCO.CCCO.CCCOCCO.CCCOCCO
InChIInChI=1S/2C5H12O2.2C3H8O/c2*1-2-4-7-5-3-6;2*1-2-3-4/h2*6H,2-5H2,1H3;2*4H,2-3H2,1H3
InChIKeyBOJSGKFMXKQFGS-UHFFFAOYSA-N
XLogP1.59
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
calcium;hydride;2-propoxyethanol
CID 174734380
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
1-(2-chloroethoxy)propane;propan-1-ol
CID 174902787
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
2-butoxyethanol
CID 8133
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;O-propylhydroxylamine
CID 87989869

Frequently Asked Questions

What is the IUPAC name of bis(propan-1-ol);bis(2-propoxyethanol)?
The IUPAC name of bis(propan-1-ol);bis(2-propoxyethanol) (CID 157411921) is bis(propan-1-ol);bis(2-propoxyethanol).
What is the SMILES notation for bis(propan-1-ol);bis(2-propoxyethanol)?
The canonical SMILES for bis(propan-1-ol);bis(2-propoxyethanol) is CCCO.CCCO.CCCOCCO.CCCOCCO.
What is the InChIKey of bis(propan-1-ol);bis(2-propoxyethanol)?
The InChIKey is BOJSGKFMXKQFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O2.2C3H8O/c2*1-2-4-7-5-3-6;2*1-2-3-4/h2*6H,2-5H2,1H3;2*4H,2-3H2,1H3.
What are the key properties of bis(propan-1-ol);bis(2-propoxyethanol)?
bis(propan-1-ol);bis(2-propoxyethanol) has a molecular weight of 328.49 g/mol, XLogP of 1.59, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-1-ol);bis(2-propoxyethanol) is sourced from PubChem (CID 157411921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).