dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate

C17H30O4 — CID 167163762

IUPACdimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate
SMILESCOC(=O)C(CCC1CC(C)C(C)(C)C1(C)C)C(=O)OC
InChIInChI=1S/C17H30O4/c1-11-10-12(17(4,5)16(11,2)3)8-9-13(14(18)20-6)15(19)21-7/h11-13H,8-10H2,1-7H3
InChIKeyMGYDCXJMQFKWIU-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.44
Rot. Bonds5

About dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate

dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate (PubChem CID 167163762) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate
PubChem CID167163762
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Namedimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate
SMILESCOC(=O)C(CCC1CC(C)C(C)(C)C1(C)C)C(=O)OC
InChIInChI=1S/C17H30O4/c1-11-10-12(17(4,5)16(11,2)3)8-9-13(14(18)20-6)15(19)21-7/h11-13H,8-10H2,1-7H3
InChIKeyMGYDCXJMQFKWIU-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate?
The IUPAC name of dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate (CID 167163762) is dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate.
What is the SMILES notation for dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate?
The canonical SMILES for dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate is COC(=O)C(CCC1CC(C)C(C)(C)C1(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate?
The InChIKey is MGYDCXJMQFKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-11-10-12(17(4,5)16(11,2)3)8-9-13(14(18)20-6)15(19)21-7/h11-13H,8-10H2,1-7H3.
What are the key properties of dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate?
dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate has a molecular weight of 298.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-(2,2,3,3,4-pentamethylcyclopentyl)ethyl]propanedioate is sourced from PubChem (CID 167163762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).