tert-butyl 2-formyloxypentanoate

C10H18O4 — CID 22283461

IUPACtert-butyl 2-formyloxypentanoate
SMILESCCCC(OC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18O4/c1-5-6-8(13-7-11)9(12)14-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyFKSOKNRWBQXQPM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl 2-formyloxypentanoate

tert-butyl 2-formyloxypentanoate (PubChem CID 22283461) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl 2-formyloxypentanoate.

Molecular Properties

Compound Nametert-butyl 2-formyloxypentanoate
PubChem CID22283461
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nametert-butyl 2-formyloxypentanoate
SMILESCCCC(OC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18O4/c1-5-6-8(13-7-11)9(12)14-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyFKSOKNRWBQXQPM-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyloxypentanoate?
The IUPAC name of tert-butyl 2-formyloxypentanoate (CID 22283461) is tert-butyl 2-formyloxypentanoate.
What is the SMILES notation for tert-butyl 2-formyloxypentanoate?
The canonical SMILES for tert-butyl 2-formyloxypentanoate is CCCC(OC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-formyloxypentanoate?
The InChIKey is FKSOKNRWBQXQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-6-8(13-7-11)9(12)14-10(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-formyloxypentanoate?
tert-butyl 2-formyloxypentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyloxypentanoate is sourced from PubChem (CID 22283461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).