[(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate

C9H15ClO4 — CID 151730511

IUPAC[(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate
SMILESCCCC(=O)O[C@H](C)CCOC(=O)Cl
InChIInChI=1S/C9H15ClO4/c1-3-4-8(11)14-7(2)5-6-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyRKLPZOQMABTNMK-SSDOTTSWSA-N
MW222.67 g/mol
LogP2.48
Rot. Bonds6

About [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate

[(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate (PubChem CID 151730511) has the molecular formula C9H15ClO4 and a molecular weight of 222.67 g/mol. Its IUPAC name is [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate.

Molecular Properties

Compound Name[(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate
PubChem CID151730511
Molecular FormulaC9H15ClO4
Molecular Weight222.67 g/mol
Exact Mass222.07
IUPAC Name[(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate
SMILESCCCC(=O)O[C@H](C)CCOC(=O)Cl
InChIInChI=1S/C9H15ClO4/c1-3-4-8(11)14-7(2)5-6-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyRKLPZOQMABTNMK-SSDOTTSWSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbonochloridoyloxybutyl propanoate
CID 154944662
nonan-2-yl butanoate
CID 551252
3-[3-[5-hydroxypentyl(methyl)amino]propanoyloxy]butyl butanoate
CID 176734629
3-chlorobutyl butanoate
CID 11622436
3-methylheptyl carbonochloridate
CID 20702686
heptan-2-yl 5-chloro-5-oxopentanoate
CID 91714634
4-(2,3,4,5,6-pentafluorophenoxy)butan-2-yl octanoate
CID 145107450
3-[3-[3-imidazol-1-ylpropyl(methyl)amino]propanoyloxy]butyl butanoate
CID 23596950
1-(dimethylamino)propan-2-yl butanoate
CID 23423565
4-O-decan-2-yl 1-O-tetradecyl butanedioate
CID 91710519
5-hexanoyloxyhexyl hexanoate
CID 102240365
pentan-2-yl 3-(4-aminobutan-2-yloxy)propanoate
CID 126726075

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate?
The IUPAC name of [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate (CID 151730511) is [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate.
What is the SMILES notation for [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate?
The canonical SMILES for [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate is CCCC(=O)O[C@H](C)CCOC(=O)Cl.
What is the InChIKey of [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate?
The InChIKey is RKLPZOQMABTNMK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15ClO4/c1-3-4-8(11)14-7(2)5-6-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate?
[(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate has a molecular weight of 222.67 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-carbonochloridoyloxybutan-2-yl] butanoate is sourced from PubChem (CID 151730511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).