(2,3,4,4-tetramethylcyclopentyl) propanoate

C12H22O2 — CID 77295462

IUPAC(2,3,4,4-tetramethylcyclopentyl) propanoate
SMILESCCC(=O)OC1CC(C)(C)C(C)C1C
InChIInChI=1S/C12H22O2/c1-6-11(13)14-10-7-12(4,5)9(3)8(10)2/h8-10H,6-7H2,1-5H3
InChIKeyJWBMAOKYRHPKCA-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds2

About (2,3,4,4-tetramethylcyclopentyl) propanoate

(2,3,4,4-tetramethylcyclopentyl) propanoate (PubChem CID 77295462) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2,3,4,4-tetramethylcyclopentyl) propanoate.

Molecular Properties

Compound Name(2,3,4,4-tetramethylcyclopentyl) propanoate
PubChem CID77295462
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2,3,4,4-tetramethylcyclopentyl) propanoate
SMILESCCC(=O)OC1CC(C)(C)C(C)C1C
InChIInChI=1S/C12H22O2/c1-6-11(13)14-10-7-12(4,5)9(3)8(10)2/h8-10H,6-7H2,1-5H3
InChIKeyJWBMAOKYRHPKCA-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,4-tetramethylcyclopentyl) propanoate?
The IUPAC name of (2,3,4,4-tetramethylcyclopentyl) propanoate (CID 77295462) is (2,3,4,4-tetramethylcyclopentyl) propanoate.
What is the SMILES notation for (2,3,4,4-tetramethylcyclopentyl) propanoate?
The canonical SMILES for (2,3,4,4-tetramethylcyclopentyl) propanoate is CCC(=O)OC1CC(C)(C)C(C)C1C.
What is the InChIKey of (2,3,4,4-tetramethylcyclopentyl) propanoate?
The InChIKey is JWBMAOKYRHPKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-11(13)14-10-7-12(4,5)9(3)8(10)2/h8-10H,6-7H2,1-5H3.
What are the key properties of (2,3,4,4-tetramethylcyclopentyl) propanoate?
(2,3,4,4-tetramethylcyclopentyl) propanoate has a molecular weight of 198.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,4-tetramethylcyclopentyl) propanoate is sourced from PubChem (CID 77295462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).