methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate

C11H20O3 — CID 105452919

IUPACmethyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
SMILESCOC(=O)CC(C)(CO)C1CCCC1
InChIInChI=1S/C11H20O3/c1-11(8-12,7-10(13)14-2)9-5-3-4-6-9/h9,12H,3-8H2,1-2H3
InChIKeyJNXBINOPEOFQKN-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds4

About methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate

methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate (PubChem CID 105452919) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
PubChem CID105452919
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
SMILESCOC(=O)CC(C)(CO)C1CCCC1
InChIInChI=1S/C11H20O3/c1-11(8-12,7-10(13)14-2)9-5-3-4-6-9/h9,12H,3-8H2,1-2H3
InChIKeyJNXBINOPEOFQKN-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
methyl 3-cyclopentyl-3-hydroxypent-4-enoate
CID 58764239
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate
CID 57193202
(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
CID 14363
methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate
CID 58176007
methyl 3-(4-cyanophenyl)-3-cyclopentylbutanoate
CID 70972093
trimethyl 2-(cyclohexanecarbonyloxy)propane-1,2,3-tricarboxylate
CID 175188635
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
2-cycloheptyl-2-methoxypropan-1-ol
CID 105442303
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
methyl 3-methyl-3-(3-oxocyclobutyl)butanoate
CID 131864811

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate?
The IUPAC name of methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate (CID 105452919) is methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate.
What is the SMILES notation for methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate?
The canonical SMILES for methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate is COC(=O)CC(C)(CO)C1CCCC1.
What is the InChIKey of methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate?
The InChIKey is JNXBINOPEOFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(8-12,7-10(13)14-2)9-5-3-4-6-9/h9,12H,3-8H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate?
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate has a molecular weight of 200.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate is sourced from PubChem (CID 105452919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).