ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate

C13H24O2 — CID 146186907

IUPACethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1C(C)CC(C)C1C(C)C
InChIInChI=1S/C13H24O2/c1-6-15-13(14)12-10(5)7-9(4)11(12)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyIRRXNRIQBBXFJK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.11
Rot. Bonds3

About ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate

ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 146186907) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate
PubChem CID146186907
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1C(C)CC(C)C1C(C)C
InChIInChI=1S/C13H24O2/c1-6-15-13(14)12-10(5)7-9(4)11(12)8(2)3/h8-12H,6-7H2,1-5H3
InChIKeyIRRXNRIQBBXFJK-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate (CID 146186907) is ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate is CCOC(=O)C1C(C)CC(C)C1C(C)C.
What is the InChIKey of ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is IRRXNRIQBBXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-15-13(14)12-10(5)7-9(4)11(12)8(2)3/h8-12H,6-7H2,1-5H3.
What are the key properties of ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate?
ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 212.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-2-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 146186907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).