propan-2-yloxycarbonyl 6-hydroxyhexanoate

C10H18O5 — CID 11183556

IUPACpropan-2-yloxycarbonyl 6-hydroxyhexanoate
SMILESCC(C)OC(=O)OC(=O)CCCCCO
InChIInChI=1S/C10H18O5/c1-8(2)14-10(13)15-9(12)6-4-3-5-7-11/h8,11H,3-7H2,1-2H3
InChIKeyCSMWVHSBIJVFDV-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.63
Rot. Bonds6

About propan-2-yloxycarbonyl 6-hydroxyhexanoate

propan-2-yloxycarbonyl 6-hydroxyhexanoate (PubChem CID 11183556) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is propan-2-yloxycarbonyl 6-hydroxyhexanoate.

Molecular Properties

Compound Namepropan-2-yloxycarbonyl 6-hydroxyhexanoate
PubChem CID11183556
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namepropan-2-yloxycarbonyl 6-hydroxyhexanoate
SMILESCC(C)OC(=O)OC(=O)CCCCCO
InChIInChI=1S/C10H18O5/c1-8(2)14-10(13)15-9(12)6-4-3-5-7-11/h8,11H,3-7H2,1-2H3
InChIKeyCSMWVHSBIJVFDV-UHFFFAOYSA-N
XLogP1.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze propan-2-yloxycarbonyl 6-hydroxyhexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycarbonyl 6-hydroxyhexanoate?
The IUPAC name of propan-2-yloxycarbonyl 6-hydroxyhexanoate (CID 11183556) is propan-2-yloxycarbonyl 6-hydroxyhexanoate.
What is the SMILES notation for propan-2-yloxycarbonyl 6-hydroxyhexanoate?
The canonical SMILES for propan-2-yloxycarbonyl 6-hydroxyhexanoate is CC(C)OC(=O)OC(=O)CCCCCO.
What is the InChIKey of propan-2-yloxycarbonyl 6-hydroxyhexanoate?
The InChIKey is CSMWVHSBIJVFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-8(2)14-10(13)15-9(12)6-4-3-5-7-11/h8,11H,3-7H2,1-2H3.
What are the key properties of propan-2-yloxycarbonyl 6-hydroxyhexanoate?
propan-2-yloxycarbonyl 6-hydroxyhexanoate has a molecular weight of 218.25 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycarbonyl 6-hydroxyhexanoate is sourced from PubChem (CID 11183556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).