1-ethoxy-4-propoxybutan-2-ol

C9H20O3 — CID 105111761

IUPAC1-ethoxy-4-propoxybutan-2-ol
SMILESCCCOCCC(O)COCC
InChIInChI=1S/C9H20O3/c1-3-6-12-7-5-9(10)8-11-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDZGLCTMENBMDRT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds8

About 1-ethoxy-4-propoxybutan-2-ol

1-ethoxy-4-propoxybutan-2-ol (PubChem CID 105111761) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethoxy-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-ethoxy-4-propoxybutan-2-ol
PubChem CID105111761
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-ethoxy-4-propoxybutan-2-ol
SMILESCCCOCCC(O)COCC
InChIInChI=1S/C9H20O3/c1-3-6-12-7-5-9(10)8-11-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDZGLCTMENBMDRT-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxypentan-2-ol
CID 21201051
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
(2-hydroxy-4-propoxybutyl) acetate
CID 121280529
1,4-dioctoxybutan-2-ol
CID 91047029
1-ethoxy-5-methoxypentan-2-ol
CID 79566643
1-methoxy-5-propoxypentan-2-ol
CID 106455960
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
4-methanidyloxybutane-1,3-diol;1-methanidyloxy-4-(4-propoxybutoxy)butan-2-ol;rutherfordium
CID 177262241
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
CID 177262277
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-ethoxy-4-methylsulfanylbutan-2-ol
CID 79566710

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-propoxybutan-2-ol?
The IUPAC name of 1-ethoxy-4-propoxybutan-2-ol (CID 105111761) is 1-ethoxy-4-propoxybutan-2-ol.
What is the SMILES notation for 1-ethoxy-4-propoxybutan-2-ol?
The canonical SMILES for 1-ethoxy-4-propoxybutan-2-ol is CCCOCCC(O)COCC.
What is the InChIKey of 1-ethoxy-4-propoxybutan-2-ol?
The InChIKey is DZGLCTMENBMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-3-6-12-7-5-9(10)8-11-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-4-propoxybutan-2-ol?
1-ethoxy-4-propoxybutan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-propoxybutan-2-ol is sourced from PubChem (CID 105111761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).