2-(2-methoxybutoxy)ethyl methyl carbonate

C9H18O5 — CID 87247552

IUPAC2-(2-methoxybutoxy)ethyl methyl carbonate
SMILESCCC(COCCOC(=O)OC)OC
InChIInChI=1S/C9H18O5/c1-4-8(11-2)7-13-5-6-14-9(10)12-3/h8H,4-7H2,1-3H3
InChIKeyMKJQLINNZGDIMM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.21
Rot. Bonds7

About 2-(2-methoxybutoxy)ethyl methyl carbonate

2-(2-methoxybutoxy)ethyl methyl carbonate (PubChem CID 87247552) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-methoxybutoxy)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(2-methoxybutoxy)ethyl methyl carbonate
PubChem CID87247552
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(2-methoxybutoxy)ethyl methyl carbonate
SMILESCCC(COCCOC(=O)OC)OC
InChIInChI=1S/C9H18O5/c1-4-8(11-2)7-13-5-6-14-9(10)12-3/h8H,4-7H2,1-3H3
InChIKeyMKJQLINNZGDIMM-UHFFFAOYSA-N
XLogP1.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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

butyl 2-(2-methoxybutoxy)ethyl carbonate
CID 87248025
2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
2-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
bis(2-(2-hydroxybutoxycarbonyloxy)ethyl methyl carbonate);bis(yttrium)
CID 158570455
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
2-methoxy-1-[2-[2-[2-[2-[2-[1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]propoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 58150754
bis[2-(2-hydroxypropoxy)ethyl] carbonate
CID 141093104
methyl pentan-3-yloxymethyl carbonate
CID 89015667
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutoxy)ethyl methyl carbonate?
The IUPAC name of 2-(2-methoxybutoxy)ethyl methyl carbonate (CID 87247552) is 2-(2-methoxybutoxy)ethyl methyl carbonate.
What is the SMILES notation for 2-(2-methoxybutoxy)ethyl methyl carbonate?
The canonical SMILES for 2-(2-methoxybutoxy)ethyl methyl carbonate is CCC(COCCOC(=O)OC)OC.
What is the InChIKey of 2-(2-methoxybutoxy)ethyl methyl carbonate?
The InChIKey is MKJQLINNZGDIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-4-8(11-2)7-13-5-6-14-9(10)12-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-methoxybutoxy)ethyl methyl carbonate?
2-(2-methoxybutoxy)ethyl methyl carbonate has a molecular weight of 206.24 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutoxy)ethyl methyl carbonate is sourced from PubChem (CID 87247552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).