2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)

C16H23O6Rb — CID 141469617

IUPAC2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)
SMILESC=CC(=O)OC(C)CC(CC)(CC(C)OC(=O)C=C)C(=O)[O-].[Rb+]
InChIInChI=1S/C16H24O6.Rb/c1-6-13(17)21-11(4)9-16(8-3,15(19)20)10-12(5)22-14(18)7-2;/h6-7,11-12H,1-2,8-10H2,3-5H3,(H,19,20);/q;+1/p-1
InChIKeyALEABOZHIQKHRK-UHFFFAOYSA-M
MW396.82 g/mol
LogP-1.85
Rot. Bonds10

About 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)

2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+) (PubChem CID 141469617) has the molecular formula C16H23O6Rb and a molecular weight of 396.82 g/mol. Its IUPAC name is 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+).

Molecular Properties

Compound Name2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)
PubChem CID141469617
Molecular FormulaC16H23O6Rb
Molecular Weight396.82 g/mol
Exact Mass396.06
IUPAC Name2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)
SMILESC=CC(=O)OC(C)CC(CC)(CC(C)OC(=O)C=C)C(=O)[O-].[Rb+]
InChIInChI=1S/C16H24O6.Rb/c1-6-13(17)21-11(4)9-16(8-3,15(19)20)10-12(5)22-14(18)7-2;/h6-7,11-12H,1-2,8-10H2,3-5H3,(H,19,20);/q;+1/p-1
InChIKeyALEABOZHIQKHRK-UHFFFAOYSA-M
XLogP-1.85
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.82
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+) 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

magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)
CID 141469581
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
CID 172734708
CID 172734708
4,4,6,6,8-pentamethylnonan-2-yl prop-2-enoate
CID 57276190
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
sodium 4-oxobutan-2-yl prop-2-enoate
CID 161109002
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
5-methylhexan-2-yl prop-2-enoate
CID 151222941
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)?
The IUPAC name of 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+) (CID 141469617) is 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+).
What is the SMILES notation for 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)?
The canonical SMILES for 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+) is C=CC(=O)OC(C)CC(CC)(CC(C)OC(=O)C=C)C(=O)[O-].[Rb+].
What is the InChIKey of 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)?
The InChIKey is ALEABOZHIQKHRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24O6.Rb/c1-6-13(17)21-11(4)9-16(8-3,15(19)20)10-12(5)22-14(18)7-2;/h6-7,11-12H,1-2,8-10H2,3-5H3,(H,19,20);/q;+1/p-1.
What are the key properties of 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+)?
2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+) has a molecular weight of 396.82 g/mol, XLogP of -1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)pentanoate;rubidium(1+) is sourced from PubChem (CID 141469617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).