ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate

C13H24O3 — CID 20661473

IUPACethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)CC1C(=O)OCOCC
InChIInChI=1S/C13H24O3/c1-4-6-11-7-10(3)8-12(11)13(14)16-9-15-5-2/h10-12H,4-9H2,1-3H3
InChIKeyCNKDENGLQYGXES-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.99
Rot. Bonds6

About ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate

ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate (PubChem CID 20661473) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
PubChem CID20661473
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)CC1C(=O)OCOCC
InChIInChI=1S/C13H24O3/c1-4-6-11-7-10(3)8-12(11)13(14)16-9-15-5-2/h10-12H,4-9H2,1-3H3
InChIKeyCNKDENGLQYGXES-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-3-oxo-2-pentylcyclopentane-1-butyric acid methyl ester
CID 139584145
(1S,2S)-3-oxo-2-pentylcyclopentane-1-butyric acid methyl ester
CID 139585582
Methyl trans-4-(2-nonylcyclopentyl)butanoate
CID 91697167
Ethyl 3-pentylcyclopentanecarboxylate
CID 242463
Ethyl 2-(2,2,3-trimethylcyclopentyl)acetate
CID 53804765
Methoxymethyl 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluorocyclopentane-1-carboxylate
CID 59552233
Methyl-4-(2'-nonyl-cyclopentyl)-butanoate
CID 554212
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
CID 10797593
cis-methyl (1S,2S)-2-butylcyclopentane-1-carboxylate
CID 13953183
cis-methyl (1S,2S)-2-octylcyclopentane-1-carboxylate
CID 15118792
cis-Methyl-4-(2'-nonyl-cyclopentyl)-butanoate
CID 129726111
Ethyl 2,3,4-trimethylcyclopentanecarboxylate
CID 129803929

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate?
The IUPAC name of ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate (CID 20661473) is ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate.
What is the SMILES notation for ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate?
The canonical SMILES for ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate is CCCC1CC(C)CC1C(=O)OCOCC.
What is the InChIKey of ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate?
The InChIKey is CNKDENGLQYGXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-11-7-10(3)8-12(11)13(14)16-9-15-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate?
ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate has a molecular weight of 228.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate is sourced from PubChem (CID 20661473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).