2-ethyl-2-hydroxypentanal

C7H14O2 — CID 13260805

IUPAC2-ethyl-2-hydroxypentanal
SMILESCCCC(O)(C=O)CC
InChIInChI=1S/C7H14O2/c1-3-5-7(9,4-2)6-8/h6,9H,3-5H2,1-2H3
InChIKeyKHBBWWSXSVLVTG-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.13
Rot. Bonds4

About 2-ethyl-2-hydroxypentanal

2-ethyl-2-hydroxypentanal (PubChem CID 13260805) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethyl-2-hydroxypentanal.

Molecular Properties

Compound Name2-ethyl-2-hydroxypentanal
PubChem CID13260805
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethyl-2-hydroxypentanal
SMILESCCCC(O)(C=O)CC
InChIInChI=1S/C7H14O2/c1-3-5-7(9,4-2)6-8/h6,9H,3-5H2,1-2H3
InChIKeyKHBBWWSXSVLVTG-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.13
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-hydroxypentanal?
The IUPAC name of 2-ethyl-2-hydroxypentanal (CID 13260805) is 2-ethyl-2-hydroxypentanal.
What is the SMILES notation for 2-ethyl-2-hydroxypentanal?
The canonical SMILES for 2-ethyl-2-hydroxypentanal is CCCC(O)(C=O)CC.
What is the InChIKey of 2-ethyl-2-hydroxypentanal?
The InChIKey is KHBBWWSXSVLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-7(9,4-2)6-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-hydroxypentanal?
2-ethyl-2-hydroxypentanal has a molecular weight of 130.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxypentanal is sourced from PubChem (CID 13260805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).