(1-pentan-3-ylcyclopentyl) 2-methylbutanoate

C15H28O2 — CID 121368391

IUPAC(1-pentan-3-ylcyclopentyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C(CC)CC)CCCC1
InChIInChI=1S/C15H28O2/c1-5-12(4)14(16)17-15(10-8-9-11-15)13(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyFIOALVVIGKRFDM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.32
Rot. Bonds6

About (1-pentan-3-ylcyclopentyl) 2-methylbutanoate

(1-pentan-3-ylcyclopentyl) 2-methylbutanoate (PubChem CID 121368391) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1-pentan-3-ylcyclopentyl) 2-methylbutanoate.

Molecular Properties

Compound Name(1-pentan-3-ylcyclopentyl) 2-methylbutanoate
PubChem CID121368391
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1-pentan-3-ylcyclopentyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C(CC)CC)CCCC1
InChIInChI=1S/C15H28O2/c1-5-12(4)14(16)17-15(10-8-9-11-15)13(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyFIOALVVIGKRFDM-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-pentan-3-ylcyclopentyl) 2,2-dimethylbutanoate
CID 121368371
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
[1-(3-methylpentan-3-yl)cyclopentyl] 2-methylbutanoate
CID 122644606
(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate
CID 59445796
[1-[(E)-pent-1-enyl]cyclohexyl] 2-methylbutanoate
CID 172546319
(1-pentan-3-ylcyclohexyl) 2-(iodoamino)-2-methylbutanoate
CID 126664054
[(3S)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl] 2-methylbutanoate
CID 172693361
(1-ethylcyclopentyl) 2-methylbutanoate;2,2,2-trifluoroethyl 2-methylbutanoate
CID 163540697
[2-(1-methylcyclohexyl)-2-adamantyl] 2-methylbutanoate
CID 122644604
(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate
CID 18731038
[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate
CID 21131318
[1-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl] 2-methylbutanoate
CID 58005024

Frequently Asked Questions

What is the IUPAC name of (1-pentan-3-ylcyclopentyl) 2-methylbutanoate?
The IUPAC name of (1-pentan-3-ylcyclopentyl) 2-methylbutanoate (CID 121368391) is (1-pentan-3-ylcyclopentyl) 2-methylbutanoate.
What is the SMILES notation for (1-pentan-3-ylcyclopentyl) 2-methylbutanoate?
The canonical SMILES for (1-pentan-3-ylcyclopentyl) 2-methylbutanoate is CCC(C)C(=O)OC1(C(CC)CC)CCCC1.
What is the InChIKey of (1-pentan-3-ylcyclopentyl) 2-methylbutanoate?
The InChIKey is FIOALVVIGKRFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-12(4)14(16)17-15(10-8-9-11-15)13(6-2)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of (1-pentan-3-ylcyclopentyl) 2-methylbutanoate?
(1-pentan-3-ylcyclopentyl) 2-methylbutanoate has a molecular weight of 240.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentan-3-ylcyclopentyl) 2-methylbutanoate is sourced from PubChem (CID 121368391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).