tris(prop-2-enoic acid);2,2,3-trimethylpentane

C17H30O6 — CID 175962971

IUPACtris(prop-2-enoic acid);2,2,3-trimethylpentane
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCC(C)C(C)(C)C
InChIInChI=1S/C8H18.3C3H4O2/c1-6-7(2)8(3,4)5;3*1-2-3(4)5/h7H,6H2,1-5H3;3*2H,1H2,(H,4,5)
InChIKeyCWGYQBDOEBKVDS-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.85
Rot. Bonds4

About tris(prop-2-enoic acid);2,2,3-trimethylpentane

tris(prop-2-enoic acid);2,2,3-trimethylpentane (PubChem CID 175962971) has the molecular formula C17H30O6 and a molecular weight of 330.42 g/mol. Its IUPAC name is tris(prop-2-enoic acid);2,2,3-trimethylpentane.

Molecular Properties

Compound Nametris(prop-2-enoic acid);2,2,3-trimethylpentane
PubChem CID175962971
Molecular FormulaC17H30O6
Molecular Weight330.42 g/mol
Exact Mass330.20
IUPAC Nametris(prop-2-enoic acid);2,2,3-trimethylpentane
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCC(C)C(C)(C)C
InChIInChI=1S/C8H18.3C3H4O2/c1-6-7(2)8(3,4)5;3*1-2-3(4)5/h7H,6H2,1-5H3;3*2H,1H2,(H,4,5)
InChIKeyCWGYQBDOEBKVDS-UHFFFAOYSA-N
XLogP3.85
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
2,3-dimethylhexane-2,4-diol;prop-2-enoic acid
CID 175063071
5,6,6-trimethylhept-1-en-3-one
CID 114982432
ethanol;prop-2-enoic acid
CID 159350313
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
4-butan-2-yl-4-(2-carboxyethenyl)hepta-2,5-dienedioic acid
CID 130200412
3,3-dimethylbutan-2-yl carbamate;prop-2-enoic acid
CID 175114624
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
2-ethylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 87649456
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enoic acid);2,2,3-trimethylpentane?
The IUPAC name of tris(prop-2-enoic acid);2,2,3-trimethylpentane (CID 175962971) is tris(prop-2-enoic acid);2,2,3-trimethylpentane.
What is the SMILES notation for tris(prop-2-enoic acid);2,2,3-trimethylpentane?
The canonical SMILES for tris(prop-2-enoic acid);2,2,3-trimethylpentane is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCC(C)C(C)(C)C.
What is the InChIKey of tris(prop-2-enoic acid);2,2,3-trimethylpentane?
The InChIKey is CWGYQBDOEBKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.3C3H4O2/c1-6-7(2)8(3,4)5;3*1-2-3(4)5/h7H,6H2,1-5H3;3*2H,1H2,(H,4,5).
What are the key properties of tris(prop-2-enoic acid);2,2,3-trimethylpentane?
tris(prop-2-enoic acid);2,2,3-trimethylpentane has a molecular weight of 330.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enoic acid);2,2,3-trimethylpentane is sourced from PubChem (CID 175962971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).