2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate

C10H18O3 — CID 140890180

IUPAC2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate
SMILESC/C=C/OCC(=O)OCC(C)(C)C
InChIInChI=1S/C10H18O3/c1-5-6-12-7-9(11)13-8-10(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyDNUMWZUTDJNDFE-AATRIKPKSA-N
MW186.25 g/mol
LogP2.13
Rot. Bonds4

About 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate

2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate (PubChem CID 140890180) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate
PubChem CID140890180
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate
SMILESC/C=C/OCC(=O)OCC(C)(C)C
InChIInChI=1S/C10H18O3/c1-5-6-12-7-9(11)13-8-10(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyDNUMWZUTDJNDFE-AATRIKPKSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]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

2,2-dimethylpropyl 2-methoxyacetate
CID 542358
2,2-dimethylpropyl (Z)-but-2-enoate
CID 144512748
2,2-dimethylpropyl 2-cyanoacetate
CID 19389183
bis(2,2-dimethylpropyl) (Z)-but-2-enedioate
CID 87865540
2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropyl butanoate;yttrium
CID 58176061
2,2-dimethylpropyl 5,5-dimethyl-4-oxohexanoate
CID 90394220
heptadecyl 2-[2-(2,2-dimethylpropoxy)-2-oxoethoxy]acetate
CID 91696026
2,2-dimethylpropyl carboniodidate
CID 71320370
4-O-(2-aminoacetyl) 1-O-(2,2-dimethylpropyl) butanedioate
CID 174947505
2,2-dimethylpropyl 4-bromo-3-hydroxybutanoate
CID 139975493
2,2-dimethylpropyl tetradecanoate
CID 14402139

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate?
The IUPAC name of 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate (CID 140890180) is 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate.
What is the SMILES notation for 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate?
The canonical SMILES for 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate is C/C=C/OCC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate?
The InChIKey is DNUMWZUTDJNDFE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-12-7-9(11)13-8-10(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+.
What are the key properties of 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate?
2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate has a molecular weight of 186.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-[(E)-prop-1-enoxy]acetate is sourced from PubChem (CID 140890180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).