3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid

C16H28O4 — CID 70869370

IUPAC3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
SMILESCCOC(=O)C(CC)(C1CCCC1)C(C(=O)O)C(C)C
InChIInChI=1S/C16H28O4/c1-5-16(15(19)20-6-2,12-9-7-8-10-12)13(11(3)4)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyJHZZJGBSYZRITP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.49
Rot. Bonds7

About 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid

3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid (PubChem CID 70869370) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
PubChem CID70869370
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
SMILESCCOC(=O)C(CC)(C1CCCC1)C(C(=O)O)C(C)C
InChIInChI=1S/C16H28O4/c1-5-16(15(19)20-6-2,12-9-7-8-10-12)13(11(3)4)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyJHZZJGBSYZRITP-UHFFFAOYSA-N
XLogP3.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxycarbonyl-3-cyclohexyl-2-propan-2-ylheptanoic acid
CID 70926069
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973903
2-(2-cyclopentyl-1-ethoxy-1-oxobutan-2-yl)-4-methylpent-2-enoic acid
CID 70869599
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
2-(2-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)-4-methylpent-2-enoic acid
CID 70869575
silyl 2,3-dicyclohexyl-2-ethylbutanoate
CID 173470224
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
3-butoxycarbonyl-3-cyclopentyl-2-ethylheptanoic acid
CID 70926011
ethyl 2-hydroxy-2-(4-propan-2-ylcycloheptyl)butanoate
CID 79298132

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid?
The IUPAC name of 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid (CID 70869370) is 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid is CCOC(=O)C(CC)(C1CCCC1)C(C(=O)O)C(C)C.
What is the InChIKey of 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid?
The InChIKey is JHZZJGBSYZRITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-5-16(15(19)20-6-2,12-9-7-8-10-12)13(11(3)4)14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid?
3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 70869370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).