2-hexoxyethyl 2-methylpropanoate

C12H24O3 — CID 88618751

IUPAC2-hexoxyethyl 2-methylpropanoate
SMILESCCCCCCOCCOC(=O)C(C)C
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-14-9-10-15-12(13)11(2)3/h11H,4-10H2,1-3H3
InChIKeyRZZMSJYXIVWPNB-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.78
Rot. Bonds9

About 2-hexoxyethyl 2-methylpropanoate

2-hexoxyethyl 2-methylpropanoate (PubChem CID 88618751) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-hexoxyethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-hexoxyethyl 2-methylpropanoate
PubChem CID88618751
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-hexoxyethyl 2-methylpropanoate
SMILESCCCCCCOCCOC(=O)C(C)C
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-14-9-10-15-12(13)11(2)3/h11H,4-10H2,1-3H3
InChIKeyRZZMSJYXIVWPNB-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.78
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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Related Compounds

2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
2-(2-decoxyethoxy)ethyl acetate
CID 526732
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
bis(2-octadecoxyethyl) (E)-but-2-enedioate
CID 175154746
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-dodecoxyethyl octadecanoate
CID 23042460

Frequently Asked Questions

What is the IUPAC name of 2-hexoxyethyl 2-methylpropanoate?
The IUPAC name of 2-hexoxyethyl 2-methylpropanoate (CID 88618751) is 2-hexoxyethyl 2-methylpropanoate.
What is the SMILES notation for 2-hexoxyethyl 2-methylpropanoate?
The canonical SMILES for 2-hexoxyethyl 2-methylpropanoate is CCCCCCOCCOC(=O)C(C)C.
What is the InChIKey of 2-hexoxyethyl 2-methylpropanoate?
The InChIKey is RZZMSJYXIVWPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-14-9-10-15-12(13)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-hexoxyethyl 2-methylpropanoate?
2-hexoxyethyl 2-methylpropanoate has a molecular weight of 216.32 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyethyl 2-methylpropanoate is sourced from PubChem (CID 88618751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).