butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate

C14H28O5 — CID 58761274

IUPACbutyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
SMILESCCCCOC(=O)C(C)CC(COCCOC)OC
InChIInChI=1S/C14H28O5/c1-5-6-7-19-14(15)12(2)10-13(17-4)11-18-9-8-16-3/h12-13H,5-11H2,1-4H3
InChIKeyOTCCWMUCOJDPLS-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.03
Rot. Bonds12

About butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate

butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate (PubChem CID 58761274) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate.

Molecular Properties

Compound Namebutyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
PubChem CID58761274
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Namebutyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
SMILESCCCCOC(=O)C(C)CC(COCCOC)OC
InChIInChI=1S/C14H28O5/c1-5-6-7-19-14(15)12(2)10-13(17-4)11-18-9-8-16-3/h12-13H,5-11H2,1-4H3
InChIKeyOTCCWMUCOJDPLS-UHFFFAOYSA-N
XLogP2.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
The IUPAC name of butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate (CID 58761274) is butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate.
What is the SMILES notation for butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
The canonical SMILES for butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate is CCCCOC(=O)C(C)CC(COCCOC)OC.
What is the InChIKey of butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
The InChIKey is OTCCWMUCOJDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-5-6-7-19-14(15)12(2)10-13(17-4)11-18-9-8-16-3/h12-13H,5-11H2,1-4H3.
What are the key properties of butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate has a molecular weight of 276.37 g/mol, XLogP of 2.03, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate is sourced from PubChem (CID 58761274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).