2,2-diethyl-4,4-dimethoxybutanal

C10H20O3 — CID 157035377

IUPAC2,2-diethyl-4,4-dimethoxybutanal
SMILESCCC(C=O)(CC)CC(OC)OC
InChIInChI=1S/C10H20O3/c1-5-10(6-2,8-11)7-9(12-3)13-4/h8-9H,5-7H2,1-4H3
InChIKeyRPRZFKLMGULLSU-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds7

About 2,2-diethyl-4,4-dimethoxybutanal

2,2-diethyl-4,4-dimethoxybutanal (PubChem CID 157035377) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2-diethyl-4,4-dimethoxybutanal.

Molecular Properties

Compound Name2,2-diethyl-4,4-dimethoxybutanal
PubChem CID157035377
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,2-diethyl-4,4-dimethoxybutanal
SMILESCCC(C=O)(CC)CC(OC)OC
InChIInChI=1S/C10H20O3/c1-5-10(6-2,8-11)7-9(12-3)13-4/h8-9H,5-7H2,1-4H3
InChIKeyRPRZFKLMGULLSU-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethoxypentane
CID 173421902
2-ethyl-2-(hydroxymethyl)-4-methylpentanal
CID 154351478
2,2,3,3-tetraethylbutanedial
CID 154181619
3,3-diethoxy-1,1-dimethoxybutane
CID 57235388
2-ethyl-2-(hydroxymethyl)pentanal
CID 19088220
2-fluoro-5,5-dimethoxypentanal
CID 55267389
2,2-diethylundecanal
CID 152675442
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
CID 62276772
3-methoxy-2,2-dimethylbutanal
CID 12739595
4-ethyl-4-formylheptanedioic acid
CID 102446451
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
CID 107871114
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4,4-dimethoxybutanal?
The IUPAC name of 2,2-diethyl-4,4-dimethoxybutanal (CID 157035377) is 2,2-diethyl-4,4-dimethoxybutanal.
What is the SMILES notation for 2,2-diethyl-4,4-dimethoxybutanal?
The canonical SMILES for 2,2-diethyl-4,4-dimethoxybutanal is CCC(C=O)(CC)CC(OC)OC.
What is the InChIKey of 2,2-diethyl-4,4-dimethoxybutanal?
The InChIKey is RPRZFKLMGULLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-10(6-2,8-11)7-9(12-3)13-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-diethyl-4,4-dimethoxybutanal?
2,2-diethyl-4,4-dimethoxybutanal has a molecular weight of 188.27 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4,4-dimethoxybutanal is sourced from PubChem (CID 157035377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).