(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate

C18H26O2 — CID 91115714

IUPAC(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate
SMILESCCCC1(CC)CCCC1OC(=O)c1ccccc1C
InChIInChI=1S/C18H26O2/c1-4-12-18(5-2)13-8-11-16(18)20-17(19)15-10-7-6-9-14(15)3/h6-7,9-10,16H,4-5,8,11-13H2,1-3H3
InChIKeyLKLIBZIXYMOCLL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.90
Rot. Bonds5

About (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate

(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate (PubChem CID 91115714) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate.

Molecular Properties

Compound Name(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate
PubChem CID91115714
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate
SMILESCCCC1(CC)CCCC1OC(=O)c1ccccc1C
InChIInChI=1S/C18H26O2/c1-4-12-18(5-2)13-8-11-16(18)20-17(19)15-10-7-6-9-14(15)3/h6-7,9-10,16H,4-5,8,11-13H2,1-3H3
InChIKeyLKLIBZIXYMOCLL-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-benzyl-2-ethylcyclopentyl) 3-methylbenzoate
CID 91052277
[10-(2-methylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undecanyl] 2-methylbenzoate
CID 166987407
propyl 2-methylbenzoate
CID 23432654
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
(3-ethyloxiran-2-yl) 2-methylbenzoate
CID 174899248
[(1R,3R,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 2-methylbenzoate
CID 129437617
[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate
CID 173265290
[(3S)-1-methylpiperidin-3-yl] 2-methylbenzoate
CID 805331
1-butyl-2-(3-methylbenzoyl)oxycyclopentane-1-carboxylic acid
CID 90985813
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
phosphono 2-methylbenzoate
CID 66728080
[(3S,3aR,6R,6aR)-6-(2-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylbenzoate
CID 167745304

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate?
The IUPAC name of (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate (CID 91115714) is (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate.
What is the SMILES notation for (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate?
The canonical SMILES for (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate is CCCC1(CC)CCCC1OC(=O)c1ccccc1C.
What is the InChIKey of (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate?
The InChIKey is LKLIBZIXYMOCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-12-18(5-2)13-8-11-16(18)20-17(19)15-10-7-6-9-14(15)3/h6-7,9-10,16H,4-5,8,11-13H2,1-3H3.
What are the key properties of (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate?
(2-ethyl-2-propylcyclopentyl) 2-methylbenzoate has a molecular weight of 274.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-propylcyclopentyl) 2-methylbenzoate is sourced from PubChem (CID 91115714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).