(2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate

C15H26O2 — CID 166592213

IUPAC(2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate
SMILESC=C(C)CC(=O)OCC1CC(C)(C)C(C)C1C
InChIInChI=1S/C15H26O2/c1-10(2)7-14(16)17-9-13-8-15(5,6)12(4)11(13)3/h11-13H,1,7-9H2,2-6H3
InChIKeyRWIUIYLWFYBTLS-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.81
Rot. Bonds4

About (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate

(2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate (PubChem CID 166592213) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate.

Molecular Properties

Compound Name(2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate
PubChem CID166592213
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate
SMILESC=C(C)CC(=O)OCC1CC(C)(C)C(C)C1C
InChIInChI=1S/C15H26O2/c1-10(2)7-14(16)17-9-13-8-15(5,6)12(4)11(13)3/h11-13H,1,7-9H2,2-6H3
InChIKeyRWIUIYLWFYBTLS-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate?
The IUPAC name of (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate (CID 166592213) is (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate.
What is the SMILES notation for (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate?
The canonical SMILES for (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate is C=C(C)CC(=O)OCC1CC(C)(C)C(C)C1C.
What is the InChIKey of (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate?
The InChIKey is RWIUIYLWFYBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)7-14(16)17-9-13-8-15(5,6)12(4)11(13)3/h11-13H,1,7-9H2,2-6H3.
What are the key properties of (2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate?
(2,3,4,4-tetramethylcyclopentyl)methyl 3-methylbut-3-enoate has a molecular weight of 238.37 g/mol, XLogP of 3.81, 4 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)methyl 3-methylbut-3-enoate is sourced from PubChem (CID 166592213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).