[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate

C16H26O5 — CID 118346070

IUPAC[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(CC)OC[C@](C)(CC)OC(=O)C=C
InChIInChI=1S/C16H26O5/c1-7-13(17)19-11-15(5,9-3)20-12-16(6,10-4)21-14(18)8-2/h7-8H,1-2,9-12H2,3-6H3/t15?,16-/m0/s1
InChIKeyQAAXBGBHSRVCEL-LYKKTTPLSA-N
MW298.38 g/mol
LogP2.80
Rot. Bonds10

About [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate

[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate (PubChem CID 118346070) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate
PubChem CID118346070
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(CC)OC[C@](C)(CC)OC(=O)C=C
InChIInChI=1S/C16H26O5/c1-7-13(17)19-11-15(5,9-3)20-12-16(6,10-4)21-14(18)8-2/h7-8H,1-2,9-12H2,3-6H3/t15?,16-/m0/s1
InChIKeyQAAXBGBHSRVCEL-LYKKTTPLSA-N
XLogP2.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate with MolForge

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Related Compounds

(1-chloro-2-methylbutan-2-yl) prop-2-enoate
CID 20643700
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
[2-methyl-3-(3-methylpentan-3-yloxy)propyl] prop-2-enoate
CID 155200525
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;methane;4-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 161238542
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
(2-ethyl-2-methyloctyl) prop-2-enoate
CID 129132567
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
(3-amino-3-hydroxy-2-methylpentan-2-yl) prop-2-enoate
CID 87534109

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate?
The IUPAC name of [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate (CID 118346070) is [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate?
The canonical SMILES for [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate is C=CC(=O)OCC(C)(CC)OC[C@](C)(CC)OC(=O)C=C.
What is the InChIKey of [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate?
The InChIKey is QAAXBGBHSRVCEL-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H26O5/c1-7-13(17)19-11-15(5,9-3)20-12-16(6,10-4)21-14(18)8-2/h7-8H,1-2,9-12H2,3-6H3/t15?,16-/m0/s1.
What are the key properties of [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate?
[2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(2S)-2-methyl-2-prop-2-enoyloxybutoxy]butyl] prop-2-enoate is sourced from PubChem (CID 118346070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).