2-ethyl-2-(hydroxymethyl)pentanal

C8H16O2 — CID 19088220

IUPAC2-ethyl-2-(hydroxymethyl)pentanal
SMILESCCCC(C=O)(CC)CO
InChIInChI=1S/C8H16O2/c1-3-5-8(4-2,6-9)7-10/h6,10H,3-5,7H2,1-2H3
InChIKeyAQNVPKSDDCIHMI-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds5

About 2-ethyl-2-(hydroxymethyl)pentanal

2-ethyl-2-(hydroxymethyl)pentanal (PubChem CID 19088220) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)pentanal.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)pentanal
PubChem CID19088220
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethyl-2-(hydroxymethyl)pentanal
SMILESCCCC(C=O)(CC)CO
InChIInChI=1S/C8H16O2/c1-3-5-8(4-2,6-9)7-10/h6,10H,3-5,7H2,1-2H3
InChIKeyAQNVPKSDDCIHMI-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)pentanal?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)pentanal (CID 19088220) is 2-ethyl-2-(hydroxymethyl)pentanal.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)pentanal?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)pentanal is CCCC(C=O)(CC)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)pentanal?
The InChIKey is AQNVPKSDDCIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(4-2,6-9)7-10/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)pentanal?
2-ethyl-2-(hydroxymethyl)pentanal has a molecular weight of 144.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)pentanal is sourced from PubChem (CID 19088220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).