2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)

C19H34O6 — CID 67709004

IUPAC2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)C(CO)(CO)C1CCCC1
InChIInChI=1S/C11H22O2.2C4H6O2/c1-9(2)11(7-12,8-13)10-5-3-4-6-10;2*1-3(2)4(5)6/h9-10,12-13H,3-8H2,1-2H3;2*1H2,2H3,(H,5,6)
InChIKeyXILVAPRKNFSSLO-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.10
Rot. Bonds6

About 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)

2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 67709004) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
PubChem CID67709004
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)C(CO)(CO)C1CCCC1
InChIInChI=1S/C11H22O2.2C4H6O2/c1-9(2)11(7-12,8-13)10-5-3-4-6-10;2*1-3(2)4(5)6/h9-10,12-13H,3-8H2,1-2H3;2*1H2,2H3,(H,5,6)
InChIKeyXILVAPRKNFSSLO-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (CID 67709004) is 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)C(CO)(CO)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is XILVAPRKNFSSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.2C4H6O2/c1-9(2)11(7-12,8-13)10-5-3-4-6-10;2*1-3(2)4(5)6/h9-10,12-13H,3-8H2,1-2H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 358.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-propan-2-ylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67709004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).