cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate

C10H18O3 — CID 23518864

IUPACcyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCC(C)(C)OCC(=O)OCC1CC1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-7-9(11)12-6-8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyVKACVAVNUTWXBN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate

cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 23518864) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID23518864
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCC(C)(C)OCC(=O)OCC1CC1
InChIInChI=1S/C10H18O3/c1-10(2,3)13-7-9(11)12-6-8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyVKACVAVNUTWXBN-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(tert-butoxy)acetate
CID 10954298
Ethyl 2-(tert-butoxy)acetate
CID 10997336
Methyl 2-(cyclopropylmethoxy)acetate
CID 39870581
Isobutyl isobutoxyacetate
CID 15108437
Ethyl 1-methoxycyclopropane-1-carboxylate
CID 12021301
Tert-butyl 2-ethoxyacetate
CID 22895798
tert-Butyl (2-methoxyethoxy)acetate
CID 59397441
Diglycolic acid, butyl isobutyl ester
CID 91693287
Methoxyacetic acid, 3-methylbutyl ester
CID 542214
Oxalic acid, butyl isobutyl ester
CID 6420677
Ethyl 2-(2-methylbutan-2-yloxy)acetate
CID 28994560
Ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate
CID 79356842

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate (CID 23518864) is cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate is CC(C)(C)OCC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is VKACVAVNUTWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)13-7-9(11)12-6-8-4-5-8/h8H,4-7H2,1-3H3.
What are the key properties of cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate?
cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 23518864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).