methyl 2,2-dimethylpropanoate;styrene

C14H20O2 — CID 144999518

IUPACmethyl 2,2-dimethylpropanoate;styrene
SMILESC=Cc1ccccc1.COC(=O)C(C)(C)C
InChIInChI=1S/C8H8.C6H12O2/c1-2-8-6-4-3-5-7-8;1-6(2,3)5(7)8-4/h2-7H,1H2;1-4H3
InChIKeyPFZLGLSVHJCJAD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.54
Rot. Bonds1

About methyl 2,2-dimethylpropanoate;styrene

methyl 2,2-dimethylpropanoate;styrene (PubChem CID 144999518) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl 2,2-dimethylpropanoate;styrene.

Molecular Properties

Compound Namemethyl 2,2-dimethylpropanoate;styrene
PubChem CID144999518
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namemethyl 2,2-dimethylpropanoate;styrene
SMILESC=Cc1ccccc1.COC(=O)C(C)(C)C
InChIInChI=1S/C8H8.C6H12O2/c1-2-8-6-4-3-5-7-8;1-6(2,3)5(7)8-4/h2-7H,1H2;1-4H3
InChIKeyPFZLGLSVHJCJAD-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2,2-dimethylpropanoate;styrene 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

azane;methyl prop-2-enoate;styrene
CID 70448676
chloromethane;styrene
CID 122701035
methyl prop-2-enoate;prop-2-enamide;styrene
CID 160521380
methyl carbamate;oxetane;styrene
CID 68829385
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
hydroxy(oxo)phosphanium;styrene
CID 158476325
prop-2-enoic acid;styrene
CID 160851252
methyl 2-methylpropanoate;prop-2-enoic acid;styrene
CID 174972609
4-ethenylbenzoic acid;styrene
CID 22341601
ethane;methanol;styrene;1,1,1-trifluoroethane
CID 91236392
benzene;ethane;styrene
CID 21219610
tert-butyl prop-2-enoate;prop-1-en-2-ylbenzene;styrene
CID 174427640

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethylpropanoate;styrene?
The IUPAC name of methyl 2,2-dimethylpropanoate;styrene (CID 144999518) is methyl 2,2-dimethylpropanoate;styrene.
What is the SMILES notation for methyl 2,2-dimethylpropanoate;styrene?
The canonical SMILES for methyl 2,2-dimethylpropanoate;styrene is C=Cc1ccccc1.COC(=O)C(C)(C)C.
What is the InChIKey of methyl 2,2-dimethylpropanoate;styrene?
The InChIKey is PFZLGLSVHJCJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H12O2/c1-2-8-6-4-3-5-7-8;1-6(2,3)5(7)8-4/h2-7H,1H2;1-4H3.
What are the key properties of methyl 2,2-dimethylpropanoate;styrene?
methyl 2,2-dimethylpropanoate;styrene has a molecular weight of 220.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethylpropanoate;styrene is sourced from PubChem (CID 144999518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).