(2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol

C12H26O2 — CID 169425756

IUPAC(2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol
SMILESCCC[C@@H](C)C=O.CCC[C@@H](C)CO
InChIInChI=1S/C6H14O.C6H12O/c2*1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3/t2*6-/m11/s1
InChIKeyHORYIBONTFJEDA-BYZBDTJCSA-N
MW202.34 g/mol
LogP3.04
Rot. Bonds6

About (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol

(2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol (PubChem CID 169425756) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol
PubChem CID169425756
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol
SMILESCCC[C@@H](C)C=O.CCC[C@@H](C)CO
InChIInChI=1S/C6H14O.C6H12O/c2*1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3/t2*6-/m11/s1
InChIKeyHORYIBONTFJEDA-BYZBDTJCSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.04
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 (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol?
The IUPAC name of (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol (CID 169425756) is (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol.
What is the SMILES notation for (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol?
The canonical SMILES for (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol is CCC[C@@H](C)C=O.CCC[C@@H](C)CO.
What is the InChIKey of (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol?
The InChIKey is HORYIBONTFJEDA-BYZBDTJCSA-N. The full InChI is InChI=1S/C6H14O.C6H12O/c2*1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3/t2*6-/m11/s1.
What are the key properties of (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol?
(2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylpentanal;(2R)-2-methylpentan-1-ol is sourced from PubChem (CID 169425756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).