methyl 2-(cyclopropylmethoxy)acetate

C7H12O3 — CID 39870581

IUPACmethyl 2-(cyclopropylmethoxy)acetate
SMILESCOC(=O)COCC1CC1
InChIInChI=1S/C7H12O3/c1-9-7(8)5-10-4-6-2-3-6/h6H,2-5H2,1H3
InChIKeyYFULVUCJQXKMEG-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.59
Rot. Bonds4

About methyl 2-(cyclopropylmethoxy)acetate

methyl 2-(cyclopropylmethoxy)acetate (PubChem CID 39870581) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethoxy)acetate
PubChem CID39870581
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 2-(cyclopropylmethoxy)acetate
SMILESCOC(=O)COCC1CC1
InChIInChI=1S/C7H12O3/c1-9-7(8)5-10-4-6-2-3-6/h6H,2-5H2,1H3
InChIKeyYFULVUCJQXKMEG-UHFFFAOYSA-N
XLogP0.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethoxy)acetate?
The IUPAC name of methyl 2-(cyclopropylmethoxy)acetate (CID 39870581) is methyl 2-(cyclopropylmethoxy)acetate.
What is the SMILES notation for methyl 2-(cyclopropylmethoxy)acetate?
The canonical SMILES for methyl 2-(cyclopropylmethoxy)acetate is COC(=O)COCC1CC1.
What is the InChIKey of methyl 2-(cyclopropylmethoxy)acetate?
The InChIKey is YFULVUCJQXKMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7(8)5-10-4-6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of methyl 2-(cyclopropylmethoxy)acetate?
methyl 2-(cyclopropylmethoxy)acetate has a molecular weight of 144.17 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethoxy)acetate is sourced from PubChem (CID 39870581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).