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

C16H32O8 — CID 173263154

IUPACethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCC(O)O.OCCO
InChIInChI=1S/C6H14O2.2C4H6O2.C2H6O2/c1-2-3-4-5-6(7)8;2*1-3(2)4(5)6;3-1-2-4/h6-8H,2-5H2,1H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyGRIJWXSWUFSLHZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.14
Rot. Bonds7

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

ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 173263154) has the molecular formula C16H32O8 and a molecular weight of 352.42 g/mol. Its IUPAC name is ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)
PubChem CID173263154
Molecular FormulaC16H32O8
Molecular Weight352.42 g/mol
Exact Mass352.21
IUPAC Nameethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCC(O)O.OCCO
InChIInChI=1S/C6H14O2.2C4H6O2.C2H6O2/c1-2-3-4-5-6(7)8;2*1-3(2)4(5)6;3-1-2-4/h6-8H,2-5H2,1H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyGRIJWXSWUFSLHZ-UHFFFAOYSA-N
XLogP1.14
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 51.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic 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

bis(2-methylprop-2-enoic acid);nonadecane-1,1-diol
CID 175364016
bis(2-methylprop-2-enoic acid);pentane-1,1-diol
CID 87132551
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
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
2-methylprop-2-enoic acid;octan-1-ol
CID 174681035
decan-1-ol;2-methylprop-2-enoic acid
CID 174640538
2-methylprop-2-enoic acid;octacosane
CID 158715869
butane-1,1-diol;ethane-1,2-diol;hexanedioic acid;hexane-1,1-diol
CID 175065137
hexane-1,2-diol;2-methylprop-2-enoic acid
CID 126599636
hexane-1,1-diol carbonate
CID 22286932
hexane-1,1-diol;bis(3-oxobutanoic acid)
CID 87268743

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid) (CID 173263154) is ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCC(O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is GRIJWXSWUFSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2C4H6O2.C2H6O2/c1-2-3-4-5-6(7)8;2*1-3(2)4(5)6;3-1-2-4/h6-8H,2-5H2,1H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid)?
ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 352.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;hexane-1,1-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 173263154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).