propan-2-yl 2-(2-methylprop-2-enoxy)acetate

C9H16O3 — CID 15892945

IUPACpropan-2-yl 2-(2-methylprop-2-enoxy)acetate
SMILESC=C(C)COCC(=O)OC(C)C
InChIInChI=1S/C9H16O3/c1-7(2)5-11-6-9(10)12-8(3)4/h8H,1,5-6H2,2-4H3
InChIKeyJAADREIKOIVKKL-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.53
Rot. Bonds5

About propan-2-yl 2-(2-methylprop-2-enoxy)acetate

propan-2-yl 2-(2-methylprop-2-enoxy)acetate (PubChem CID 15892945) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is propan-2-yl 2-(2-methylprop-2-enoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-methylprop-2-enoxy)acetate
PubChem CID15892945
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namepropan-2-yl 2-(2-methylprop-2-enoxy)acetate
SMILESC=C(C)COCC(=O)OC(C)C
InChIInChI=1S/C9H16O3/c1-7(2)5-11-6-9(10)12-8(3)4/h8H,1,5-6H2,2-4H3
InChIKeyJAADREIKOIVKKL-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
CID 176655808
propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
CID 21252463
propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
CID 89005640
propan-2-yl 2-[2-(dihydroxyamino)oxypropoxy]acetate
CID 89005644
propan-2-yl 2-(3,3,3-trifluoropropoxy)acetate
CID 82953795
propan-2-yl 2-(2-cyclopropylethoxy)acetate
CID 106199281
propan-2-one;propan-2-yl propanoate
CID 161266557
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
CID 176718300
propan-2-yl 2-methylprop-2-enoate
CID 146421311
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-methylprop-2-enoxy)acetate?
The IUPAC name of propan-2-yl 2-(2-methylprop-2-enoxy)acetate (CID 15892945) is propan-2-yl 2-(2-methylprop-2-enoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2-methylprop-2-enoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2-methylprop-2-enoxy)acetate is C=C(C)COCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-methylprop-2-enoxy)acetate?
The InChIKey is JAADREIKOIVKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)5-11-6-9(10)12-8(3)4/h8H,1,5-6H2,2-4H3.
What are the key properties of propan-2-yl 2-(2-methylprop-2-enoxy)acetate?
propan-2-yl 2-(2-methylprop-2-enoxy)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-methylprop-2-enoxy)acetate is sourced from PubChem (CID 15892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).