3-ethoxy-1-propoxybutane

C9H20O2 — CID 89015567

IUPAC3-ethoxy-1-propoxybutane
SMILESCCCOCCC(C)OCC
InChIInChI=1S/C9H20O2/c1-4-7-10-8-6-9(3)11-5-2/h9H,4-8H2,1-3H3
InChIKeyOKLLFDGZXPPGCQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds7

About 3-ethoxy-1-propoxybutane

3-ethoxy-1-propoxybutane (PubChem CID 89015567) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethoxy-1-propoxybutane.

Molecular Properties

Compound Name3-ethoxy-1-propoxybutane
PubChem CID89015567
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethoxy-1-propoxybutane
SMILESCCCOCCC(C)OCC
InChIInChI=1S/C9H20O2/c1-4-7-10-8-6-9(3)11-5-2/h9H,4-8H2,1-3H3
InChIKeyOKLLFDGZXPPGCQ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1-propoxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butoxy-1-propoxybutane
CID 57175368
3-prop-2-enoxy-1-propoxybutane
CID 173418975
1-(4-ethenoxybutoxy)-3-ethoxybutane
CID 146579743
3-methyl-1-propoxypentane
CID 123388243
1-(3-dodecoxybutoxy)dodecane
CID 173358855
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
2-ethoxytridecane
CID 54143367
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
(3S)-3-(aminoiodanuidylmethoxy)-1-ethoxybutane
CID 163823396

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-propoxybutane?
The IUPAC name of 3-ethoxy-1-propoxybutane (CID 89015567) is 3-ethoxy-1-propoxybutane.
What is the SMILES notation for 3-ethoxy-1-propoxybutane?
The canonical SMILES for 3-ethoxy-1-propoxybutane is CCCOCCC(C)OCC.
What is the InChIKey of 3-ethoxy-1-propoxybutane?
The InChIKey is OKLLFDGZXPPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-7-10-8-6-9(3)11-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-1-propoxybutane?
3-ethoxy-1-propoxybutane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-propoxybutane is sourced from PubChem (CID 89015567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).