2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)

C20H36O6 — CID 67708990

IUPAC2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCC(CO)(CO)C1CCCCC1
InChIInChI=1S/C12H24O2.2C4H6O2/c1-2-8-12(9-13,10-14)11-6-4-3-5-7-11;2*1-3(2)4(5)6/h11,13-14H,2-10H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyABIJXEYBGFYUOY-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.63
Rot. Bonds7

About 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)

2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 67708990) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
PubChem CID67708990
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCC(CO)(CO)C1CCCCC1
InChIInChI=1S/C12H24O2.2C4H6O2/c1-2-8-12(9-13,10-14)11-6-4-3-5-7-11;2*1-3(2)4(5)6/h11,13-14H,2-10H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyABIJXEYBGFYUOY-UHFFFAOYSA-N
XLogP3.63
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (CID 67708990) is 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CCCC(CO)(CO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is ABIJXEYBGFYUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.2C4H6O2/c1-2-8-12(9-13,10-14)11-6-4-3-5-7-11;2*1-3(2)4(5)6/h11,13-14H,2-10H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 372.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-propylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67708990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).