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

C19H34O6 — CID 67708965

IUPAC2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)(CO)C1CCCCC1
InChIInChI=1S/C11H22O2.2C4H6O2/c1-2-11(8-12,9-13)10-6-4-3-5-7-10;2*1-3(2)4(5)6/h10,12-13H,2-9H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyGUNNCRPIGSUPJO-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.24
Rot. Bonds6

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

2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 67708965) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
PubChem CID67708965
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)(CO)C1CCCCC1
InChIInChI=1S/C11H22O2.2C4H6O2/c1-2-11(8-12,9-13)10-6-4-3-5-7-10;2*1-3(2)4(5)6/h10,12-13H,2-9H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyGUNNCRPIGSUPJO-UHFFFAOYSA-N
XLogP3.24
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.24
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-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (CID 67708965) is 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)(CO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is GUNNCRPIGSUPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.2C4H6O2/c1-2-11(8-12,9-13)10-6-4-3-5-7-10;2*1-3(2)4(5)6/h10,12-13H,2-9H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 358.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67708965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).