ethoxyethane;heptane;oxolane

C15H34O2 — CID 86588588

IUPACethoxyethane;heptane;oxolane
SMILESC1CCOC1.CCCCCCC.CCOCC
InChIInChI=1S/C7H16.C4H8O.C4H10O/c1-3-5-7-6-4-2;1-2-4-5-3-1;1-3-5-4-2/h3-7H2,1-2H3;1-4H2;3-4H2,1-2H3
InChIKeyQYDUBUZFRNQUMH-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.82
Rot. Bonds6

About ethoxyethane;heptane;oxolane

ethoxyethane;heptane;oxolane (PubChem CID 86588588) has the molecular formula C15H34O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is ethoxyethane;heptane;oxolane.

Molecular Properties

Compound Nameethoxyethane;heptane;oxolane
PubChem CID86588588
Molecular FormulaC15H34O2
Molecular Weight246.43 g/mol
Exact Mass246.26
IUPAC Nameethoxyethane;heptane;oxolane
SMILESC1CCOC1.CCCCCCC.CCOCC
InChIInChI=1S/C7H16.C4H8O.C4H10O/c1-3-5-7-6-4-2;1-2-4-5-3-1;1-3-5-4-2/h3-7H2,1-2H3;1-4H2;3-4H2,1-2H3
InChIKeyQYDUBUZFRNQUMH-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloromethane;hexane;oxolane
CID 19387301
1-methoxypentane;oxolane
CID 160798368
1-butoxybutane;oxane
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1,4-dioxane;tetradecane
CID 159034856
1,4-dioxane;1-pentoxypentane
CID 174356603
dodecan-1-ol;methanol;oxolane
CID 174811054
decan-1-ol;oxolane;hydrate
CID 174935070
oxolane;tetrabutylazanium
CID 159740735
ethoxyethane;oxirane
CID 87097695
butane;ethoxyethane;methane;pentane
CID 158883576
CID 11457332
CID 11457332
hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride
CID 162141084

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;heptane;oxolane?
The IUPAC name of ethoxyethane;heptane;oxolane (CID 86588588) is ethoxyethane;heptane;oxolane.
What is the SMILES notation for ethoxyethane;heptane;oxolane?
The canonical SMILES for ethoxyethane;heptane;oxolane is C1CCOC1.CCCCCCC.CCOCC.
What is the InChIKey of ethoxyethane;heptane;oxolane?
The InChIKey is QYDUBUZFRNQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H8O.C4H10O/c1-3-5-7-6-4-2;1-2-4-5-3-1;1-3-5-4-2/h3-7H2,1-2H3;1-4H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;heptane;oxolane?
ethoxyethane;heptane;oxolane has a molecular weight of 246.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;heptane;oxolane is sourced from PubChem (CID 86588588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).