3-(3-methoxy-3-methylbutoxy)butanal

C10H20O3 — CID 44602918

IUPAC3-(3-methoxy-3-methylbutoxy)butanal
SMILESCOC(C)(C)CCOC(C)CC=O
InChIInChI=1S/C10H20O3/c1-9(5-7-11)13-8-6-10(2,3)12-4/h7,9H,5-6,8H2,1-4H3
InChIKeyZPTPIMZILKBBHN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.80
Rot. Bonds7

About 3-(3-methoxy-3-methylbutoxy)butanal

3-(3-methoxy-3-methylbutoxy)butanal (PubChem CID 44602918) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)butanal.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)butanal
PubChem CID44602918
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(3-methoxy-3-methylbutoxy)butanal
SMILESCOC(C)(C)CCOC(C)CC=O
InChIInChI=1S/C10H20O3/c1-9(5-7-11)13-8-6-10(2,3)12-4/h7,9H,5-6,8H2,1-4H3
InChIKeyZPTPIMZILKBBHN-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)butanal?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)butanal (CID 44602918) is 3-(3-methoxy-3-methylbutoxy)butanal.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)butanal?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)butanal is COC(C)(C)CCOC(C)CC=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)butanal?
The InChIKey is ZPTPIMZILKBBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(5-7-11)13-8-6-10(2,3)12-4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)butanal?
3-(3-methoxy-3-methylbutoxy)butanal has a molecular weight of 188.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)butanal is sourced from PubChem (CID 44602918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).