6-hydroxyhexanoyl chloride

C6H11ClO2 — CID 87077852

IUPAC6-hydroxyhexanoyl chloride
SMILESO=C(Cl)CCCCCO
InChIInChI=1S/C6H11ClO2/c7-6(9)4-2-1-3-5-8/h8H,1-5H2
InChIKeyFKRFFLOOASTJSJ-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.30
Rot. Bonds5

About 6-hydroxyhexanoyl chloride

6-hydroxyhexanoyl chloride (PubChem CID 87077852) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 6-hydroxyhexanoyl chloride.

Molecular Properties

Compound Name6-hydroxyhexanoyl chloride
PubChem CID87077852
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name6-hydroxyhexanoyl chloride
SMILESO=C(Cl)CCCCCO
InChIInChI=1S/C6H11ClO2/c7-6(9)4-2-1-3-5-8/h8H,1-5H2
InChIKeyFKRFFLOOASTJSJ-UHFFFAOYSA-N
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
1,11-dihydroxyundecan-6-one
CID 14015246
nonadecanoyl chloride
CID 4250939
butane-1,4-diol;bis(carbonochloridic acid)
CID 53446623
31-hydroxyhentriacontanoic acid
CID 71339995
38-hydroxyoctatriacontanoic acid
CID 18981443
6-hydroxyhexanamide
CID 11815390
10-hydroxydecanoic acid
CID 138734563
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
18-hydroxyoctadecanamide
CID 54261687
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexanoyl chloride?
The IUPAC name of 6-hydroxyhexanoyl chloride (CID 87077852) is 6-hydroxyhexanoyl chloride.
What is the SMILES notation for 6-hydroxyhexanoyl chloride?
The canonical SMILES for 6-hydroxyhexanoyl chloride is O=C(Cl)CCCCCO.
What is the InChIKey of 6-hydroxyhexanoyl chloride?
The InChIKey is FKRFFLOOASTJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c7-6(9)4-2-1-3-5-8/h8H,1-5H2.
What are the key properties of 6-hydroxyhexanoyl chloride?
6-hydroxyhexanoyl chloride has a molecular weight of 150.60 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexanoyl chloride is sourced from PubChem (CID 87077852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).