(3R)-5-chloro-3-methylpentanal

C6H11ClO — CID 13191831

IUPAC(3R)-5-chloro-3-methylpentanal
SMILESC[C@H](CC=O)CCCl
InChIInChI=1S/C6H11ClO/c1-6(2-4-7)3-5-8/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyKSAZUNOAWWEKOD-LURJTMIESA-N
MW134.61 g/mol
LogP1.84
Rot. Bonds4

About (3R)-5-chloro-3-methylpentanal

(3R)-5-chloro-3-methylpentanal (PubChem CID 13191831) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is (3R)-5-chloro-3-methylpentanal.

Molecular Properties

Compound Name(3R)-5-chloro-3-methylpentanal
PubChem CID13191831
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name(3R)-5-chloro-3-methylpentanal
SMILESC[C@H](CC=O)CCCl
InChIInChI=1S/C6H11ClO/c1-6(2-4-7)3-5-8/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyKSAZUNOAWWEKOD-LURJTMIESA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3-methylcyclopropane-1-carbaldehyde
CID 15103534
5-Chloro-2,2-dimethylpentanal
CID 14249008
2-Chloro-3-methylbutanal
CID 11062364
(2R)-2-chloro-3-methylbutanal
CID 11400754
4-Chlorovaleraldehyde
CID 12365949
2-Chloropentanal
CID 12592664
5-Chloro-2-ethylpentanal
CID 13118181
5-Chloro-2-methylpentanal
CID 15930258
(2S,3S,4S)-4-chloro-2-fluoro-3-methylhexanal
CID 118119117
(S)-4-chloro-2-methylbutyraldehyde
CID 12365953
6-Chloro-5-methylhexanal
CID 13682607
4-Methyl-6-chlorohexanal
CID 13682608

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-methylpentanal?
The IUPAC name of (3R)-5-chloro-3-methylpentanal (CID 13191831) is (3R)-5-chloro-3-methylpentanal.
What is the SMILES notation for (3R)-5-chloro-3-methylpentanal?
The canonical SMILES for (3R)-5-chloro-3-methylpentanal is C[C@H](CC=O)CCCl.
What is the InChIKey of (3R)-5-chloro-3-methylpentanal?
The InChIKey is KSAZUNOAWWEKOD-LURJTMIESA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(2-4-7)3-5-8/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-5-chloro-3-methylpentanal?
(3R)-5-chloro-3-methylpentanal has a molecular weight of 134.61 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-methylpentanal is sourced from PubChem (CID 13191831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).