dichloromethyl 5-hydroxyhexanoate

C7H12Cl2O3 — CID 57271090

IUPACdichloromethyl 5-hydroxyhexanoate
SMILESCC(O)CCCC(=O)OC(Cl)Cl
InChIInChI=1S/C7H12Cl2O3/c1-5(10)3-2-4-6(11)12-7(8)9/h5,7,10H,2-4H2,1H3
InChIKeyYQEACKZHEFLNKX-UHFFFAOYSA-N
MW215.08 g/mol
LogP1.84
Rot. Bonds5

About dichloromethyl 5-hydroxyhexanoate

dichloromethyl 5-hydroxyhexanoate (PubChem CID 57271090) has the molecular formula C7H12Cl2O3 and a molecular weight of 215.08 g/mol. Its IUPAC name is dichloromethyl 5-hydroxyhexanoate.

Molecular Properties

Compound Namedichloromethyl 5-hydroxyhexanoate
PubChem CID57271090
Molecular FormulaC7H12Cl2O3
Molecular Weight215.08 g/mol
Exact Mass214.02
IUPAC Namedichloromethyl 5-hydroxyhexanoate
SMILESCC(O)CCCC(=O)OC(Cl)Cl
InChIInChI=1S/C7H12Cl2O3/c1-5(10)3-2-4-6(11)12-7(8)9/h5,7,10H,2-4H2,1H3
InChIKeyYQEACKZHEFLNKX-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 5-chlorohexanoate
CID 23047200
2,10-dihydroxyundecan-6-one
CID 56979503
2,3-bis(6-hydroxyheptanoyloxy)propyl 6-hydroxyheptanoate
CID 90367811
methyl (7R)-7-hydroxyoctanoate
CID 13111883
methyl 9-hydroxydecanoate
CID 530430
methyl 14-hydroxypentadecanoate
CID 13111893
(5R)-5-hydroxyhexanoate
CID 7131042
5-hydroxyhexan-2-yl decanoate
CID 170848666
[3-hydroxy-2-(5-hydroxyhexanoyloxymethyl)-2-methylpropyl] 5-hydroxyhexanoate
CID 101287119
bis(dichloromethyl) 3-hydroxypentanedioate
CID 87949758
propan-2-yl 4-chlorobutanoate
CID 527700
8-hydroxy-2-methylnonan-4-one
CID 57006312

Frequently Asked Questions

What is the IUPAC name of dichloromethyl 5-hydroxyhexanoate?
The IUPAC name of dichloromethyl 5-hydroxyhexanoate (CID 57271090) is dichloromethyl 5-hydroxyhexanoate.
What is the SMILES notation for dichloromethyl 5-hydroxyhexanoate?
The canonical SMILES for dichloromethyl 5-hydroxyhexanoate is CC(O)CCCC(=O)OC(Cl)Cl.
What is the InChIKey of dichloromethyl 5-hydroxyhexanoate?
The InChIKey is YQEACKZHEFLNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O3/c1-5(10)3-2-4-6(11)12-7(8)9/h5,7,10H,2-4H2,1H3.
What are the key properties of dichloromethyl 5-hydroxyhexanoate?
dichloromethyl 5-hydroxyhexanoate has a molecular weight of 215.08 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl 5-hydroxyhexanoate is sourced from PubChem (CID 57271090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).