5,5-diethoxy-3-methylpentanal

C10H20O3 — CID 54035286

IUPAC5,5-diethoxy-3-methylpentanal
SMILESCCOC(CC(C)CC=O)OCC
InChIInChI=1S/C10H20O3/c1-4-12-10(13-5-2)8-9(3)6-7-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeyLIMRLPYUQQGIDT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds8

About 5,5-diethoxy-3-methylpentanal

5,5-diethoxy-3-methylpentanal (PubChem CID 54035286) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5,5-diethoxy-3-methylpentanal.

Molecular Properties

Compound Name5,5-diethoxy-3-methylpentanal
PubChem CID54035286
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5,5-diethoxy-3-methylpentanal
SMILESCCOC(CC(C)CC=O)OCC
InChIInChI=1S/C10H20O3/c1-4-12-10(13-5-2)8-9(3)6-7-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeyLIMRLPYUQQGIDT-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxy-3-methylpentanal?
The IUPAC name of 5,5-diethoxy-3-methylpentanal (CID 54035286) is 5,5-diethoxy-3-methylpentanal.
What is the SMILES notation for 5,5-diethoxy-3-methylpentanal?
The canonical SMILES for 5,5-diethoxy-3-methylpentanal is CCOC(CC(C)CC=O)OCC.
What is the InChIKey of 5,5-diethoxy-3-methylpentanal?
The InChIKey is LIMRLPYUQQGIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-12-10(13-5-2)8-9(3)6-7-11/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 5,5-diethoxy-3-methylpentanal?
5,5-diethoxy-3-methylpentanal has a molecular weight of 188.27 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxy-3-methylpentanal is sourced from PubChem (CID 54035286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).