ethenyl 2,2,4,4-tetramethylpentanoate

C11H20O2 — CID 19774400

IUPACethenyl 2,2,4,4-tetramethylpentanoate
SMILESC=COC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C11H20O2/c1-7-13-9(12)11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3
InChIKeyBEBSSWYECUCQHK-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.14
Rot. Bonds3

About ethenyl 2,2,4,4-tetramethylpentanoate

ethenyl 2,2,4,4-tetramethylpentanoate (PubChem CID 19774400) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethenyl 2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Nameethenyl 2,2,4,4-tetramethylpentanoate
PubChem CID19774400
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethenyl 2,2,4,4-tetramethylpentanoate
SMILESC=COC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C11H20O2/c1-7-13-9(12)11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3
InChIKeyBEBSSWYECUCQHK-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenyl 2,2-dimethylpent-4-enoate
CID 22590352
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
(2-hydroxy-3-prop-2-enoxypropyl) 2,2,4,4-tetramethylpentanoate
CID 174357198
acetic acid;ethenyl 2,2-dimethylpropanoate
CID 162337931
ethenyl 2-(hydroxymethyl)-2-methylbutanoate
CID 58709244
2,2,4,4-tetramethylhex-5-eneperoxoic acid
CID 88598611
2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate
CID 91049611
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
CID 145316987
ethenyl 2-methyl-2-propylheptanoate
CID 146579738
(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 137404264
ethenyl 25,25-dimethylhexacosanoate
CID 141448423

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2,4,4-tetramethylpentanoate?
The IUPAC name of ethenyl 2,2,4,4-tetramethylpentanoate (CID 19774400) is ethenyl 2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for ethenyl 2,2,4,4-tetramethylpentanoate?
The canonical SMILES for ethenyl 2,2,4,4-tetramethylpentanoate is C=COC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of ethenyl 2,2,4,4-tetramethylpentanoate?
The InChIKey is BEBSSWYECUCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7-13-9(12)11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of ethenyl 2,2,4,4-tetramethylpentanoate?
ethenyl 2,2,4,4-tetramethylpentanoate has a molecular weight of 184.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 19774400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).