3-[2-(3-methylbutoxy)ethoxy]propanal

C10H20O3 — CID 122463238

IUPAC3-[2-(3-methylbutoxy)ethoxy]propanal
SMILESCC(C)CCOCCOCCC=O
InChIInChI=1S/C10H20O3/c1-10(2)4-7-13-9-8-12-6-3-5-11/h5,10H,3-4,6-9H2,1-2H3
InChIKeyNCFOKIXAKPFHJX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.65
Rot. Bonds9

About 3-[2-(3-methylbutoxy)ethoxy]propanal

3-[2-(3-methylbutoxy)ethoxy]propanal (PubChem CID 122463238) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[2-(3-methylbutoxy)ethoxy]propanal.

Molecular Properties

Compound Name3-[2-(3-methylbutoxy)ethoxy]propanal
PubChem CID122463238
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-[2-(3-methylbutoxy)ethoxy]propanal
SMILESCC(C)CCOCCOCCC=O
InChIInChI=1S/C10H20O3/c1-10(2)4-7-13-9-8-12-6-3-5-11/h5,10H,3-4,6-9H2,1-2H3
InChIKeyNCFOKIXAKPFHJX-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
3-(2-propan-2-yloxyethoxy)propanal
CID 63040405
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
CID 123354844
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
methane;4-methylpentanal
CID 87157049

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutoxy)ethoxy]propanal?
The IUPAC name of 3-[2-(3-methylbutoxy)ethoxy]propanal (CID 122463238) is 3-[2-(3-methylbutoxy)ethoxy]propanal.
What is the SMILES notation for 3-[2-(3-methylbutoxy)ethoxy]propanal?
The canonical SMILES for 3-[2-(3-methylbutoxy)ethoxy]propanal is CC(C)CCOCCOCCC=O.
What is the InChIKey of 3-[2-(3-methylbutoxy)ethoxy]propanal?
The InChIKey is NCFOKIXAKPFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2)4-7-13-9-8-12-6-3-5-11/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of 3-[2-(3-methylbutoxy)ethoxy]propanal?
3-[2-(3-methylbutoxy)ethoxy]propanal has a molecular weight of 188.27 g/mol, XLogP of 1.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutoxy)ethoxy]propanal is sourced from PubChem (CID 122463238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).