1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate

C20H34O7 — CID 91751147

IUPAC1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COCC(C)(C)COCC(C)OCC(C)OC(=O)C=C
InChIInChI=1S/C20H34O7/c1-8-18(21)26-16(4)11-24-14-20(6,7)13-23-10-15(3)25-12-17(5)27-19(22)9-2/h8-9,15-17H,1-2,10-14H2,3-7H3
InChIKeyGVAKVLUFUQSBNI-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.69
Rot. Bonds15

About 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate

1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate (PubChem CID 91751147) has the molecular formula C20H34O7 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate
PubChem CID91751147
Molecular FormulaC20H34O7
Molecular Weight386.49 g/mol
Exact Mass386.23
IUPAC Name1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)COCC(C)(C)COCC(C)OCC(C)OC(=O)C=C
InChIInChI=1S/C20H34O7/c1-8-18(21)26-16(4)11-24-14-20(6,7)13-23-10-15(3)25-12-17(5)27-19(22)9-2/h8-9,15-17H,1-2,10-14H2,3-7H3
InChIKeyGVAKVLUFUQSBNI-UHFFFAOYSA-N
XLogP2.69
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate with MolForge

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Related Compounds

Tripropylene glycol diacrylate
CID 4128060
Neopentyl glycol diacrylate
CID 16680
(2-Ethyl-2-((2-((1-oxoallyl)oxy)ethoxy)methyl)-1,3-propanediyl)bis(oxy-2,1-ethanediyl) diacrylate
CID 115157
Tripropyleneglycol diacrylate
CID 93414
Dipropylene glycol diacrylate
CID 3034434
Dipentaerythritol hexaacrylate
CID 122409
2-Propenoic acid, 1,1'-(2-methyl-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester
CID 88240
2-Propenoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
CID 79569
((2,2-Dimethylpropane-1,3-diyl)bis(oxy)propane-3,1-diyl) diprop-2-enoate
CID 174364
1,2-Propanediol diacrylate
CID 91305
Ethoxylated glycerol triacrylate
CID 11567206
Ebecryl 53
CID 93276

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate (CID 91751147) is 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)COCC(C)(C)COCC(C)OCC(C)OC(=O)C=C.
What is the InChIKey of 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate?
The InChIKey is GVAKVLUFUQSBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O7/c1-8-18(21)26-16(4)11-24-14-20(6,7)13-23-10-15(3)25-12-17(5)27-19(22)9-2/h8-9,15-17H,1-2,10-14H2,3-7H3.
What are the key properties of 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate?
1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate has a molecular weight of 386.49 g/mol, XLogP of 2.69, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate is sourced from PubChem (CID 91751147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).