bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol

C27H52O6 — CID 175364016

IUPACbis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C19H40O2.2C4H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;2*1-3(2)4(5)6/h19-21H,2-18H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyPIVGDLGWXAKAGX-UHFFFAOYSA-N
MW472.71 g/mol
LogP7.24
Rot. Bonds19

About bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol

bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol (PubChem CID 175364016) has the molecular formula C27H52O6 and a molecular weight of 472.71 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
PubChem CID175364016
Molecular FormulaC27H52O6
Molecular Weight472.71 g/mol
Exact Mass472.38
IUPAC Namebis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C19H40O2.2C4H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;2*1-3(2)4(5)6/h19-21H,2-18H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyPIVGDLGWXAKAGX-UHFFFAOYSA-N
XLogP7.24
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 57.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol 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-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)
CID 173263154
bis(2-methylprop-2-enoic acid);pentane-1,1-diol
CID 87132551
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
2-methylprop-2-enoic acid;octacosane
CID 158715869
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
dodecane-1,1-diol;tris(prop-2-enoic acid)
CID 157166263
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
hexane-1,1-diol;2-(hydroxymethyl)pentane-1,5-diol;tris(2-methylprop-2-enoic acid);bis(prop-2-enoic acid)
CID 174931993
dodecane-1,1-diol;dihydrochloride
CID 87128887

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol?
The IUPAC name of bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol (CID 175364016) is bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol?
The canonical SMILES for bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol is C=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCCC(O)O.
What is the InChIKey of bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol?
The InChIKey is PIVGDLGWXAKAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2.2C4H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;2*1-3(2)4(5)6/h19-21H,2-18H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol?
bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol has a molecular weight of 472.71 g/mol, XLogP of 7.24, 19 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol is sourced from PubChem (CID 175364016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).