2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate

C17H32O3 — CID 141100879

IUPAC2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
SMILESCCCCC1(C(=O)OCC(C)C)CCCC1OCCC
InChIInChI=1S/C17H32O3/c1-5-7-10-17(16(18)20-13-14(3)4)11-8-9-15(17)19-12-6-2/h14-15H,5-13H2,1-4H3
InChIKeyFXTFOFTUBOZMSC-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.34
Rot. Bonds9

About 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate

2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate (PubChem CID 141100879) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
PubChem CID141100879
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
SMILESCCCCC1(C(=O)OCC(C)C)CCCC1OCCC
InChIInChI=1S/C17H32O3/c1-5-7-10-17(16(18)20-13-14(3)4)11-8-9-15(17)19-12-6-2/h14-15H,5-13H2,1-4H3
InChIKeyFXTFOFTUBOZMSC-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate
CID 141100873
2-methylpropyl 2-phenylmethoxy-1-propylcyclopentane-1-carboxylate
CID 141100848
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
[2-(2-methylpropoxycarbonyl)-2-pentylcyclopentyl] 3-methylbenzoate
CID 69200542
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
[(1R,2R)-2-ethoxycarbonyl-2-tetradecylcyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 71680562
2-[[(1S,2R)-2-ethoxycarbonyl-2-tridecylcyclopentyl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 71582868
1-O-butyl 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
CID 66983579
2-O-(2-methylpropyl) 1-O-tridecyl cyclohexane-1,2-dicarboxylate
CID 69470644
1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 67821374
1-O-(2-methylpropyl) 3-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66983681

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate?
The IUPAC name of 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate (CID 141100879) is 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate is CCCCC1(C(=O)OCC(C)C)CCCC1OCCC.
What is the InChIKey of 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate?
The InChIKey is FXTFOFTUBOZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-5-7-10-17(16(18)20-13-14(3)4)11-8-9-15(17)19-12-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate?
2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate is sourced from PubChem (CID 141100879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).