ethyl 3-(2-methoxyethoxy)propyl carbonate

C9H18O5 — CID 87247585

IUPACethyl 3-(2-methoxyethoxy)propyl carbonate
SMILESCCOC(=O)OCCCOCCOC
InChIInChI=1S/C9H18O5/c1-3-13-9(10)14-6-4-5-12-8-7-11-2/h3-8H2,1-2H3
InChIKeyNOLHLKKYRVLBOG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.21
Rot. Bonds8

About ethyl 3-(2-methoxyethoxy)propyl carbonate

ethyl 3-(2-methoxyethoxy)propyl carbonate (PubChem CID 87247585) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethoxy)propyl carbonate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethoxy)propyl carbonate
PubChem CID87247585
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Nameethyl 3-(2-methoxyethoxy)propyl carbonate
SMILESCCOC(=O)OCCCOCCOC
InChIInChI=1S/C9H18O5/c1-3-13-9(10)14-6-4-5-12-8-7-11-2/h3-8H2,1-2H3
InChIKeyNOLHLKKYRVLBOG-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'}

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Related Compounds

ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174866576
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
bis(3-propoxypropyl) carbonate
CID 90300554
3-butoxypropyl butyl carbonate
CID 87247588
butyl 3-methoxypropyl carbonate
CID 87247582
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethoxy)propyl carbonate?
The IUPAC name of ethyl 3-(2-methoxyethoxy)propyl carbonate (CID 87247585) is ethyl 3-(2-methoxyethoxy)propyl carbonate.
What is the SMILES notation for ethyl 3-(2-methoxyethoxy)propyl carbonate?
The canonical SMILES for ethyl 3-(2-methoxyethoxy)propyl carbonate is CCOC(=O)OCCCOCCOC.
What is the InChIKey of ethyl 3-(2-methoxyethoxy)propyl carbonate?
The InChIKey is NOLHLKKYRVLBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-3-13-9(10)14-6-4-5-12-8-7-11-2/h3-8H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyethoxy)propyl carbonate?
ethyl 3-(2-methoxyethoxy)propyl 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 ethyl 3-(2-methoxyethoxy)propyl carbonate is sourced from PubChem (CID 87247585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).