1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate

C14H26O3 — CID 20697965

IUPAC1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(CC)OC(=O)C1CCC(C(C)C)C1
InChIInChI=1S/C14H26O3/c1-5-13(16-6-2)17-14(15)12-8-7-11(9-12)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyGXCMPWDZJGVDJN-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.37
Rot. Bonds6

About 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate

1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 20697965) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate
PubChem CID20697965
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(CC)OC(=O)C1CCC(C(C)C)C1
InChIInChI=1S/C14H26O3/c1-5-13(16-6-2)17-14(15)12-8-7-11(9-12)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyGXCMPWDZJGVDJN-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (2S)-2-cyclopentylpropanoate
CID 155930018
Ethyl 3-pentylcyclopentanecarboxylate
CID 242463
Ethyl 2,3,4-trimethylcyclopentanecarboxylate
CID 129803929
ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate
CID 10470914
1-acetyloxyethyl (2R)-2-propyloctanoate
CID 11514593
Ethyl 4-cyclopentylpentanoate
CID 18433851
Oxan-2-yl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 20622015
Oxan-2-yl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20622016
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402
Ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661473
1-Ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681882

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate (CID 20697965) is 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate is CCOC(CC)OC(=O)C1CCC(C(C)C)C1.
What is the InChIKey of 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is GXCMPWDZJGVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-13(16-6-2)17-14(15)12-8-7-11(9-12)10(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate?
1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 20697965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).