[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate

C20H34O5 — CID 129094110

IUPAC[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)COCC(C)(CCC)COC(=O)C(=C)C
InChIInChI=1S/C20H34O5/c1-9-10-20(8,14-25-18(22)16(4)5)13-23-11-19(6,7)12-24-17(21)15(2)3/h2,4,9-14H2,1,3,5-8H3
InChIKeyDSJASDSRGGWPKR-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.07
Rot. Bonds12

About [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate

[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate (PubChem CID 129094110) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
PubChem CID129094110
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)COCC(C)(CCC)COC(=O)C(=C)C
InChIInChI=1S/C20H34O5/c1-9-10-20(8,14-25-18(22)16(4)5)13-23-11-19(6,7)12-24-17(21)15(2)3/h2,4,9-14H2,1,3,5-8H3
InChIKeyDSJASDSRGGWPKR-UHFFFAOYSA-N
XLogP4.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
[3-[2-(2,3-dimethylbut-2-enoyloxymethyl)-2-ethylpentoxy]-2,2-dimethylpropyl] 2,3-dimethylbut-2-enoate
CID 129121966
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] dodecanedioate
CID 170682365
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
(2-methyl-2-propylpentyl) acetate
CID 89417633
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] but-2-enoate
CID 91474787
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-acetyloxy-2-methylpropanoate
CID 118546550
[4-[[[2-ethyl-2,4-dimethyl-4-(2-methylprop-2-enoyloxymethyl)hexyl]carbamoylamino]methyl]-2,2,4-trimethylhexyl] 2-methylprop-2-enoate
CID 144771179
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate (CID 129094110) is [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)COCC(C)(CCC)COC(=O)C(=C)C.
What is the InChIKey of [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is DSJASDSRGGWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5/c1-9-10-20(8,14-25-18(22)16(4)5)13-23-11-19(6,7)12-24-17(21)15(2)3/h2,4,9-14H2,1,3,5-8H3.
What are the key properties of [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate?
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 354.49 g/mol, XLogP of 4.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129094110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).