propan-2-yl 2-(2-cyclopropylethoxy)acetate

C10H18O3 — CID 106199281

IUPACpropan-2-yl 2-(2-cyclopropylethoxy)acetate
SMILESCC(C)OC(=O)COCCC1CC1
InChIInChI=1S/C10H18O3/c1-8(2)13-10(11)7-12-6-5-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyIBNUJXYHBYVCPL-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds6

About propan-2-yl 2-(2-cyclopropylethoxy)acetate

propan-2-yl 2-(2-cyclopropylethoxy)acetate (PubChem CID 106199281) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl 2-(2-cyclopropylethoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-cyclopropylethoxy)acetate
PubChem CID106199281
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namepropan-2-yl 2-(2-cyclopropylethoxy)acetate
SMILESCC(C)OC(=O)COCCC1CC1
InChIInChI=1S/C10H18O3/c1-8(2)13-10(11)7-12-6-5-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyIBNUJXYHBYVCPL-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-cyclopropylethoxy)acetate?
The IUPAC name of propan-2-yl 2-(2-cyclopropylethoxy)acetate (CID 106199281) is propan-2-yl 2-(2-cyclopropylethoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2-cyclopropylethoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2-cyclopropylethoxy)acetate is CC(C)OC(=O)COCCC1CC1.
What is the InChIKey of propan-2-yl 2-(2-cyclopropylethoxy)acetate?
The InChIKey is IBNUJXYHBYVCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)13-10(11)7-12-6-5-9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-cyclopropylethoxy)acetate?
propan-2-yl 2-(2-cyclopropylethoxy)acetate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-cyclopropylethoxy)acetate is sourced from PubChem (CID 106199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).