(2R)-2-methylpentanoyl chloride

C6H11ClO — CID 7160703

IUPAC(2R)-2-methylpentanoyl chloride
SMILESCCC[C@@H](C)C(=O)Cl
InChIInChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyMFIQXAVMTLKUJR-RXMQYKEDSA-N
MW134.61 g/mol
LogP2.19
Rot. Bonds3

About (2R)-2-methylpentanoyl chloride

(2R)-2-methylpentanoyl chloride (PubChem CID 7160703) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is (2R)-2-methylpentanoyl chloride.

Molecular Properties

Compound Name(2R)-2-methylpentanoyl chloride
PubChem CID7160703
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name(2R)-2-methylpentanoyl chloride
SMILESCCC[C@@H](C)C(=O)Cl
InChIInChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyMFIQXAVMTLKUJR-RXMQYKEDSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyldecanoyl chloride
CID 19022279
(2S)-2-methyloctadecanoyl chloride
CID 88703138
(6S)-4,6-dimethylnonan-5-one
CID 177467625
1-chloro-1,1-difluoro-3-methylhexan-2-one
CID 107896380
CID 159174397
CID 159174397
(4R)-4-methylheptan-3-one
CID 12696684
(4R)-2,4-dimethylheptan-3-one
CID 6999069
(Z,2S)-2-methyloctadec-9-enoyl chloride
CID 129408802
ethyl 2-[(1-chloro-1-oxopropan-2-yl)amino]pentanoate
CID 58903047
magnesium bis(2-methylpentanoate)
CID 140813982
lithium 2-methylpentanoate
CID 122554466
(3S)-3-methyl-2-oxohexanamide
CID 145466724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylpentanoyl chloride?
The IUPAC name of (2R)-2-methylpentanoyl chloride (CID 7160703) is (2R)-2-methylpentanoyl chloride.
What is the SMILES notation for (2R)-2-methylpentanoyl chloride?
The canonical SMILES for (2R)-2-methylpentanoyl chloride is CCC[C@@H](C)C(=O)Cl.
What is the InChIKey of (2R)-2-methylpentanoyl chloride?
The InChIKey is MFIQXAVMTLKUJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-methylpentanoyl chloride?
(2R)-2-methylpentanoyl chloride has a molecular weight of 134.61 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylpentanoyl chloride is sourced from PubChem (CID 7160703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).