2-propoxy-1-(2-propoxyethoxy)hexane

C14H30O3 — CID 91395495

IUPAC2-propoxy-1-(2-propoxyethoxy)hexane
SMILESCCCCC(COCCOCCC)OCCC
InChIInChI=1S/C14H30O3/c1-4-7-8-14(17-10-6-3)13-16-12-11-15-9-5-2/h14H,4-13H2,1-3H3
InChIKeyVHDCTPOWGVYTAZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.41
Rot. Bonds13

About 2-propoxy-1-(2-propoxyethoxy)hexane

2-propoxy-1-(2-propoxyethoxy)hexane (PubChem CID 91395495) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-propoxy-1-(2-propoxyethoxy)hexane.

Molecular Properties

Compound Name2-propoxy-1-(2-propoxyethoxy)hexane
PubChem CID91395495
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-propoxy-1-(2-propoxyethoxy)hexane
SMILESCCCCC(COCCOCCC)OCCC
InChIInChI=1S/C14H30O3/c1-4-7-8-14(17-10-6-3)13-16-12-11-15-9-5-2/h14H,4-13H2,1-3H3
InChIKeyVHDCTPOWGVYTAZ-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19805858
3-propoxyheptane
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2-[2-(2-hydroxyethoxy)decoxy]ethanol
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methane;methylsulfanylmethane;2-(2-propoxyethoxy)-1-[2-(2-propoxyethoxy)ethoxy]-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 159675079
1-(3-methoxy-2-propoxypropoxy)butane
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2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
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1-[1-(2-docosoxyethoxy)pentacosan-2-yloxy]propan-2-ol
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CID 169296847

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(2-propoxyethoxy)hexane?
The IUPAC name of 2-propoxy-1-(2-propoxyethoxy)hexane (CID 91395495) is 2-propoxy-1-(2-propoxyethoxy)hexane.
What is the SMILES notation for 2-propoxy-1-(2-propoxyethoxy)hexane?
The canonical SMILES for 2-propoxy-1-(2-propoxyethoxy)hexane is CCCCC(COCCOCCC)OCCC.
What is the InChIKey of 2-propoxy-1-(2-propoxyethoxy)hexane?
The InChIKey is VHDCTPOWGVYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-4-7-8-14(17-10-6-3)13-16-12-11-15-9-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 2-propoxy-1-(2-propoxyethoxy)hexane?
2-propoxy-1-(2-propoxyethoxy)hexane has a molecular weight of 246.39 g/mol, XLogP of 3.41, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(2-propoxyethoxy)hexane is sourced from PubChem (CID 91395495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).