bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid

C15H24O6 — CID 174911104

IUPACbis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(C)(C)C(C)C.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C9H16O2.2C3H4O2/c1-6(2)9(4,5)7(3)8(10)11;2*1-2-3(4)5/h6H,3H2,1-2,4-5H3,(H,10,11);2*2H,1H2,(H,4,5)
InChIKeyCXYHGNHDKPWLIB-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.82
Rot. Bonds5

About bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid

bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid (PubChem CID 174911104) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid.

Molecular Properties

Compound Namebis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid
PubChem CID174911104
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namebis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(C)(C)C(C)C.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C9H16O2.2C3H4O2/c1-6(2)9(4,5)7(3)8(10)11;2*1-2-3(4)5/h6H,3H2,1-2,4-5H3,(H,10,11);2*2H,1H2,(H,4,5)
InChIKeyCXYHGNHDKPWLIB-UHFFFAOYSA-N
XLogP2.82
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid 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

ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
tris(propan-2-ol);prop-2-enoic acid;titanium
CID 19993431
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
chloromethane;chromium;prop-2-enoic acid
CID 174311629
2,3,4,5,5-pentamethyl-6-methylidenehept-2-enedioic acid
CID 174844739
tert-butyl 3,3-dimethyl-2-methylidenebutanoate;prop-2-enoic acid
CID 174780645
methanol;prop-2-enoic acid
CID 159043362
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
2,3-dimethylhexane-2,4-diol;prop-2-enoic acid
CID 175063071

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid?
The IUPAC name of bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid (CID 174911104) is bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid.
What is the SMILES notation for bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid?
The canonical SMILES for bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid is C=C(C(=O)O)C(C)(C)C(C)C.C=CC(=O)O.C=CC(=O)O.
What is the InChIKey of bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid?
The InChIKey is CXYHGNHDKPWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.2C3H4O2/c1-6(2)9(4,5)7(3)8(10)11;2*1-2-3(4)5/h6H,3H2,1-2,4-5H3,(H,10,11);2*2H,1H2,(H,4,5).
What are the key properties of bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid?
bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid has a molecular weight of 300.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid is sourced from PubChem (CID 174911104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).