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

C18H32O6 — CID 67708962

IUPAC2-cyclopentyl-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)C1CCCC1
InChIInChI=1S/C10H20O2.2C4H6O2/c1-2-10(7-11,8-12)9-5-3-4-6-9;2*1-3(2)4(5)6/h9,11-12H,2-8H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyHLKNTCJAMXKZFS-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.85
Rot. Bonds6

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

2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 67708962) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
PubChem CID67708962
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name2-cyclopentyl-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)C1CCCC1
InChIInChI=1S/C10H20O2.2C4H6O2/c1-2-10(7-11,8-12)9-5-3-4-6-9;2*1-3(2)4(5)6/h9,11-12H,2-8H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyHLKNTCJAMXKZFS-UHFFFAOYSA-N
XLogP2.85
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.85
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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Related Compounds

(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879
ethylcycloheptane;2-methylprop-2-enoic acid
CID 68583536
2,2-bis(hydroxymethyl)propane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 173221405
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 158139440
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)
CID 173388304
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
methylcyclobutane;2-methylprop-2-enoic acid
CID 68582164
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
CID 173413432
CID 173413432

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) (CID 67708962) is 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-cyclopentyl-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)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is HLKNTCJAMXKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.2C4H6O2/c1-2-10(7-11,8-12)9-5-3-4-6-9;2*1-3(2)4(5)6/h9,11-12H,2-8H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)?
2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 344.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67708962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).