2-propan-2-yloxyethyl 4-methylpentanoate

C11H22O3 — CID 118193795

IUPAC2-propan-2-yloxyethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCCOC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)5-6-11(12)14-8-7-13-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyOYWWXCSDEDWJCF-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds7

About 2-propan-2-yloxyethyl 4-methylpentanoate

2-propan-2-yloxyethyl 4-methylpentanoate (PubChem CID 118193795) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 4-methylpentanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 4-methylpentanoate
PubChem CID118193795
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-propan-2-yloxyethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCCOC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)5-6-11(12)14-8-7-13-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyOYWWXCSDEDWJCF-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-propan-2-yloxyethyl 4-methylpentanoate?
The IUPAC name of 2-propan-2-yloxyethyl 4-methylpentanoate (CID 118193795) is 2-propan-2-yloxyethyl 4-methylpentanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 4-methylpentanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 4-methylpentanoate is CC(C)CCC(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 4-methylpentanoate?
The InChIKey is OYWWXCSDEDWJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)5-6-11(12)14-8-7-13-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-propan-2-yloxyethyl 4-methylpentanoate?
2-propan-2-yloxyethyl 4-methylpentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 4-methylpentanoate is sourced from PubChem (CID 118193795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).