1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol

C13H30O4 — CID 159420422

IUPAC1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol
SMILESCCC(CC)COCCO.CCOCC(C)O
InChIInChI=1S/C8H18O2.C5H12O2/c1-3-8(4-2)7-10-6-5-9;1-3-7-4-5(2)6/h8-9H,3-7H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyLPRVRMJFFQDSDP-UHFFFAOYSA-N
MW250.38 g/mol
LogP1.84
Rot. Bonds9

About 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol

1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol (PubChem CID 159420422) has the molecular formula C13H30O4 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol
PubChem CID159420422
Molecular FormulaC13H30O4
Molecular Weight250.38 g/mol
Exact Mass250.21
IUPAC Name1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol
SMILESCCC(CC)COCCO.CCOCC(C)O
InChIInChI=1S/C8H18O2.C5H12O2/c1-3-8(4-2)7-10-6-5-9;1-3-7-4-5(2)6/h8-9H,3-7H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyLPRVRMJFFQDSDP-UHFFFAOYSA-N
XLogP1.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
butan-1-ol;1-ethoxypropan-2-ol
CID 158715656
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
1-ethoxypropan-2-ol;3-methoxybutan-1-ol
CID 161147161
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
but-2-enedioic acid;1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 163538655
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol?
The IUPAC name of 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol (CID 159420422) is 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol.
What is the SMILES notation for 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol?
The canonical SMILES for 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol is CCC(CC)COCCO.CCOCC(C)O.
What is the InChIKey of 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol?
The InChIKey is LPRVRMJFFQDSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C5H12O2/c1-3-8(4-2)7-10-6-5-9;1-3-7-4-5(2)6/h8-9H,3-7H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol?
1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol has a molecular weight of 250.38 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol is sourced from PubChem (CID 159420422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).