(2R)-2-chlorohexanoic acid

C6H11ClO2 — CID 12732681

IUPAC(2R)-2-chlorohexanoic acid
SMILESCCCC[C@@H](Cl)C(=O)O
InChIInChI=1S/C6H11ClO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyOMPRMWFZHLNRQJ-RXMQYKEDSA-N
MW150.60 g/mol
LogP1.87
Rot. Bonds4

About (2R)-2-chlorohexanoic acid

(2R)-2-chlorohexanoic acid (PubChem CID 12732681) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is (2R)-2-chlorohexanoic acid.

Molecular Properties

Compound Name(2R)-2-chlorohexanoic acid
PubChem CID12732681
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name(2R)-2-chlorohexanoic acid
SMILESCCCC[C@@H](Cl)C(=O)O
InChIInChI=1S/C6H11ClO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyOMPRMWFZHLNRQJ-RXMQYKEDSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,8-dichlorododecane-6,7-dione
CID 140986134
2-chlorohexanoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174944644
ethane;2-hydroxyhexanoic acid
CID 20976061
2-butylpropanedioic acid;dihydrochloride
CID 87134690
2-bromohexanoic acid;ethane
CID 88646283
propyl 2-chlorohexanoate
CID 141267998
acetic acid;2-chloropentanoic acid;pyridine
CID 173457755
(2R)-2-hydroxyhexanoic acid
CID 6995511
magnesium;2-butylpropanedioic acid;hydride
CID 174337936
acetic acid;nonan-5-ol
CID 53445479
CID 87702087
CID 87702087
2-chlorooctadecanoyl chloride
CID 20512617

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chlorohexanoic acid?
The IUPAC name of (2R)-2-chlorohexanoic acid (CID 12732681) is (2R)-2-chlorohexanoic acid.
What is the SMILES notation for (2R)-2-chlorohexanoic acid?
The canonical SMILES for (2R)-2-chlorohexanoic acid is CCCC[C@@H](Cl)C(=O)O.
What is the InChIKey of (2R)-2-chlorohexanoic acid?
The InChIKey is OMPRMWFZHLNRQJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-chlorohexanoic acid?
(2R)-2-chlorohexanoic acid has a molecular weight of 150.60 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chlorohexanoic acid is sourced from PubChem (CID 12732681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).