methyl 4-ethoxycarbonyloxybutanoate

C8H14O5 — CID 140976798

IUPACmethyl 4-ethoxycarbonyloxybutanoate
SMILESCCOC(=O)OCCCC(=O)OC
InChIInChI=1S/C8H14O5/c1-3-12-8(10)13-6-4-5-7(9)11-2/h3-6H2,1-2H3
InChIKeyFILDKNGNUANHRA-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.11
Rot. Bonds5

About methyl 4-ethoxycarbonyloxybutanoate

methyl 4-ethoxycarbonyloxybutanoate (PubChem CID 140976798) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 4-ethoxycarbonyloxybutanoate.

Molecular Properties

Compound Namemethyl 4-ethoxycarbonyloxybutanoate
PubChem CID140976798
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 4-ethoxycarbonyloxybutanoate
SMILESCCOC(=O)OCCCC(=O)OC
InChIInChI=1S/C8H14O5/c1-3-12-8(10)13-6-4-5-7(9)11-2/h3-6H2,1-2H3
InChIKeyFILDKNGNUANHRA-UHFFFAOYSA-N
XLogP1.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.11
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

dimethyl hexanedioate;stannane
CID 173290076
CID 175796855
CID 175796855
methyl 4-aminooxybutanoate
CID 54367972
4-O-ethyl 1-O-methyl butanedioate
CID 522068
methyl 4-methoxybutanoate
CID 542317
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
10-O-butyl 1-O-methyl decanedioate
CID 22057000
hydrazine;methyl pentanoate
CID 88709772
4-chlorobutyl ethyl carbonate
CID 103970561
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxycarbonyloxybutanoate?
The IUPAC name of methyl 4-ethoxycarbonyloxybutanoate (CID 140976798) is methyl 4-ethoxycarbonyloxybutanoate.
What is the SMILES notation for methyl 4-ethoxycarbonyloxybutanoate?
The canonical SMILES for methyl 4-ethoxycarbonyloxybutanoate is CCOC(=O)OCCCC(=O)OC.
What is the InChIKey of methyl 4-ethoxycarbonyloxybutanoate?
The InChIKey is FILDKNGNUANHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-12-8(10)13-6-4-5-7(9)11-2/h3-6H2,1-2H3.
What are the key properties of methyl 4-ethoxycarbonyloxybutanoate?
methyl 4-ethoxycarbonyloxybutanoate has a molecular weight of 190.19 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxycarbonyloxybutanoate is sourced from PubChem (CID 140976798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).