ethoxyethane;hexane;2-propan-2-yloxypropane

C16H38O2 — CID 87119579

IUPACethoxyethane;hexane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CCCCCC.CCOCC
InChIInChI=1S/C6H14O.C6H14.C4H10O/c1-5(2)7-6(3)4;1-3-5-6-4-2;1-3-5-4-2/h5-6H,1-4H3;3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyVISPSMUBRVHQMR-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.45
Rot. Bonds7

About ethoxyethane;hexane;2-propan-2-yloxypropane

ethoxyethane;hexane;2-propan-2-yloxypropane (PubChem CID 87119579) has the molecular formula C16H38O2 and a molecular weight of 262.48 g/mol. Its IUPAC name is ethoxyethane;hexane;2-propan-2-yloxypropane.

Molecular Properties

Compound Nameethoxyethane;hexane;2-propan-2-yloxypropane
PubChem CID87119579
Molecular FormulaC16H38O2
Molecular Weight262.48 g/mol
Exact Mass262.29
IUPAC Nameethoxyethane;hexane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CCCCCC.CCOCC
InChIInChI=1S/C6H14O.C6H14.C4H10O/c1-5(2)7-6(3)4;1-3-5-6-4-2;1-3-5-4-2/h5-6H,1-4H3;3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyVISPSMUBRVHQMR-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.45
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

chloroform;ethoxyethane;hexane;methanol
CID 173390490
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CID 144869865
hexane;2-propan-2-yloxypropane;toluene
CID 174447414
2-propan-2-yloxypropane;tetradecanoic acid
CID 172837764
decyl-di(propan-2-yloxy)alumane
CID 141398006
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;tridecan-1-ol
CID 87091597
ethoxyethane;1-(2-methylbutoxy)tetracosane
CID 166757399
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CID 143834457
CID 171375365
CID 171375365

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hexane;2-propan-2-yloxypropane?
The IUPAC name of ethoxyethane;hexane;2-propan-2-yloxypropane (CID 87119579) is ethoxyethane;hexane;2-propan-2-yloxypropane.
What is the SMILES notation for ethoxyethane;hexane;2-propan-2-yloxypropane?
The canonical SMILES for ethoxyethane;hexane;2-propan-2-yloxypropane is CC(C)OC(C)C.CCCCCC.CCOCC.
What is the InChIKey of ethoxyethane;hexane;2-propan-2-yloxypropane?
The InChIKey is VISPSMUBRVHQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C6H14.C4H10O/c1-5(2)7-6(3)4;1-3-5-6-4-2;1-3-5-4-2/h5-6H,1-4H3;3-6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;hexane;2-propan-2-yloxypropane?
ethoxyethane;hexane;2-propan-2-yloxypropane has a molecular weight of 262.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hexane;2-propan-2-yloxypropane is sourced from PubChem (CID 87119579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).