(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate

C14H24O2 — CID 162705349

IUPAC(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate
SMILESCC1=C(C)C(C)(C)C(COC(=O)C(C)C)C1
InChIInChI=1S/C14H24O2/c1-9(2)13(15)16-8-12-7-10(3)11(4)14(12,5)6/h9,12H,7-8H2,1-6H3
InChIKeyMDDSRGGTDDGITM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds3

About (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate

(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate (PubChem CID 162705349) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate
PubChem CID162705349
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate
SMILESCC1=C(C)C(C)(C)C(COC(=O)C(C)C)C1
InChIInChI=1S/C14H24O2/c1-9(2)13(15)16-8-12-7-10(3)11(4)14(12,5)6/h9,12H,7-8H2,1-6H3
InChIKeyMDDSRGGTDDGITM-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
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 (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate?
The IUPAC name of (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate (CID 162705349) is (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate?
The canonical SMILES for (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate is CC1=C(C)C(C)(C)C(COC(=O)C(C)C)C1.
What is the InChIKey of (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate?
The InChIKey is MDDSRGGTDDGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)13(15)16-8-12-7-10(3)11(4)14(12,5)6/h9,12H,7-8H2,1-6H3.
What are the key properties of (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate?
(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 162705349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).