4-(2-methoxyethoxy)butyl methyl carbonate

C9H18O5 — CID 87247594

IUPAC4-(2-methoxyethoxy)butyl methyl carbonate
SMILESCOCCOCCCCOC(=O)OC
InChIInChI=1S/C9H18O5/c1-11-7-8-13-5-3-4-6-14-9(10)12-2/h3-8H2,1-2H3
InChIKeyXFYGLEWIZQWDJF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.21
Rot. Bonds8

About 4-(2-methoxyethoxy)butyl methyl carbonate

4-(2-methoxyethoxy)butyl methyl carbonate (PubChem CID 87247594) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)butyl methyl carbonate.

Molecular Properties

Compound Name4-(2-methoxyethoxy)butyl methyl carbonate
PubChem CID87247594
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name4-(2-methoxyethoxy)butyl methyl carbonate
SMILESCOCCOCCCCOC(=O)OC
InChIInChI=1S/C9H18O5/c1-11-7-8-13-5-3-4-6-14-9(10)12-2/h3-8H2,1-2H3
InChIKeyXFYGLEWIZQWDJF-UHFFFAOYSA-N
XLogP1.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)butyl methyl carbonate 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

3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
1,8-bis(2-methoxyethoxy)octane
CID 143118909
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
azane;methyl tetradecyl carbonate
CID 118914581
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)butyl methyl carbonate?
The IUPAC name of 4-(2-methoxyethoxy)butyl methyl carbonate (CID 87247594) is 4-(2-methoxyethoxy)butyl methyl carbonate.
What is the SMILES notation for 4-(2-methoxyethoxy)butyl methyl carbonate?
The canonical SMILES for 4-(2-methoxyethoxy)butyl methyl carbonate is COCCOCCCCOC(=O)OC.
What is the InChIKey of 4-(2-methoxyethoxy)butyl methyl carbonate?
The InChIKey is XFYGLEWIZQWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-11-7-8-13-5-3-4-6-14-9(10)12-2/h3-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)butyl methyl carbonate?
4-(2-methoxyethoxy)butyl methyl carbonate has a molecular weight of 206.24 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)butyl methyl carbonate is sourced from PubChem (CID 87247594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).