(1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate

C8H14O4 — CID 156741867

IUPAC(1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate
SMILESCOCCC(O)OC(=O)C1CC1
InChIInChI=1S/C8H14O4/c1-11-5-4-7(9)12-8(10)6-2-3-6/h6-7,9H,2-5H2,1H3
InChIKeyVCHZZEXKVNWZDG-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.29
Rot. Bonds5

About (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate

(1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate (PubChem CID 156741867) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate
PubChem CID156741867
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate
SMILESCOCCC(O)OC(=O)C1CC1
InChIInChI=1S/C8H14O4/c1-11-5-4-7(9)12-8(10)6-2-3-6/h6-7,9H,2-5H2,1H3
InChIKeyVCHZZEXKVNWZDG-UHFFFAOYSA-N
XLogP0.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate?
The IUPAC name of (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate (CID 156741867) is (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate.
What is the SMILES notation for (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate?
The canonical SMILES for (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate is COCCC(O)OC(=O)C1CC1.
What is the InChIKey of (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate?
The InChIKey is VCHZZEXKVNWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-5-4-7(9)12-8(10)6-2-3-6/h6-7,9H,2-5H2,1H3.
What are the key properties of (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate?
(1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate has a molecular weight of 174.20 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methoxypropyl) cyclopropanecarboxylate is sourced from PubChem (CID 156741867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).