(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate

C14H24O3 — CID 57193202

IUPAC(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCC(C)(CO)C1CCCC1
InChIInChI=1S/C14H24O3/c1-4-11(2)13(16)17-10-14(3,9-15)12-7-5-6-8-12/h4,12,15H,5-10H2,1-3H3
InChIKeyPZFSFRNWIXKJBA-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.68
Rot. Bonds5

About (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate

(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate (PubChem CID 57193202) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate
PubChem CID57193202
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCC(C)(CO)C1CCCC1
InChIInChI=1S/C14H24O3/c1-4-11(2)13(16)17-10-14(3,9-15)12-7-5-6-8-12/h4,12,15H,5-10H2,1-3H3
InChIKeyPZFSFRNWIXKJBA-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
CID 14363
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
(2-hydroxy-2-methylbut-3-enyl) (E)-2-methylbut-2-enoate
CID 5367751
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
[2,2-bis(dihydroxymethyl)-3,3-dihydroxypropyl] 2-methylbut-2-enoate
CID 57139885
2,2,4-trimethylpent-4-enyl (E)-2-methylbut-2-enoate
CID 15800965
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
[2-(hydroxymethyl)-2-propylhexyl] 2-methylbut-2-enoate
CID 57088246
3-aminooxy-2-cyclopentyl-2-methylpropanoic acid
CID 105442610
[2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl] (Z)-2-methylbut-2-enoate
CID 102584192

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate?
The IUPAC name of (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate (CID 57193202) is (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate.
What is the SMILES notation for (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate?
The canonical SMILES for (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate is CC=C(C)C(=O)OCC(C)(CO)C1CCCC1.
What is the InChIKey of (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate?
The InChIKey is PZFSFRNWIXKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-11(2)13(16)17-10-14(3,9-15)12-7-5-6-8-12/h4,12,15H,5-10H2,1-3H3.
What are the key properties of (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate?
(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate is sourced from PubChem (CID 57193202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).