methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate

C12H22O5 — CID 103176640

IUPACmethyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate
SMILESCOCCCOCCOC(C(=O)OC)C1CC1
InChIInChI=1S/C12H22O5/c1-14-6-3-7-16-8-9-17-11(10-4-5-10)12(13)15-2/h10-11H,3-9H2,1-2H3
InChIKeyRZSCBNBNXCRWLT-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.01
Rot. Bonds10

About methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate

methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate (PubChem CID 103176640) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate
PubChem CID103176640
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Namemethyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate
SMILESCOCCCOCCOC(C(=O)OC)C1CC1
InChIInChI=1S/C12H22O5/c1-14-6-3-7-16-8-9-17-11(10-4-5-10)12(13)15-2/h10-11H,3-9H2,1-2H3
InChIKeyRZSCBNBNXCRWLT-UHFFFAOYSA-N
XLogP1.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-cyclopropyl-2-(3-methylbut-3-enoxy)acetate
CID 114469930
2-(3-methoxypropoxy)ethyl 3-amino-3-cyclopropylpropanoate
CID 103178767
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
3-amino-3-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 114358393
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
2-[2-(3-methoxypropoxy)ethoxy]pentanehydrazide
CID 103175980
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
methyl 2-[3-[2-(4-methoxybutoxymethyl)-3-(3-methoxypropoxy)-2-(3-methoxypropoxymethyl)propoxy]propyl]-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexanoate
CID 161409757
2-(3-methoxypropoxy)ethyl 2-(aminomethyl)butanoate
CID 103178431

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate (CID 103176640) is methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate is COCCCOCCOC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate?
The InChIKey is RZSCBNBNXCRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-14-6-3-7-16-8-9-17-11(10-4-5-10)12(13)15-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate?
methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate has a molecular weight of 246.30 g/mol, XLogP of 1.01, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[2-(3-methoxypropoxy)ethoxy]acetate is sourced from PubChem (CID 103176640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).