[cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate

C13H24O3 — CID 20767517

IUPAC[cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(OC)C1CCCC1
InChIInChI=1S/C13H24O3/c1-5-13(2,3)12(14)16-11(15-4)10-8-6-7-9-10/h10-11H,5-9H2,1-4H3
InChIKeyFWACZNXXTGKCKO-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.13
Rot. Bonds5

About [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate

[cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate (PubChem CID 20767517) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate
PubChem CID20767517
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name[cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(OC)C1CCCC1
InChIInChI=1S/C13H24O3/c1-5-13(2,3)12(14)16-11(15-4)10-8-6-7-9-10/h10-11H,5-9H2,1-4H3
InChIKeyFWACZNXXTGKCKO-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate?
The IUPAC name of [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate (CID 20767517) is [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate?
The canonical SMILES for [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(OC)C1CCCC1.
What is the InChIKey of [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate?
The InChIKey is FWACZNXXTGKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-13(2,3)12(14)16-11(15-4)10-8-6-7-9-10/h10-11H,5-9H2,1-4H3.
What are the key properties of [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate?
[cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate has a molecular weight of 228.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl(methoxy)methyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 20767517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).