(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate

C13H22O2 — CID 164546927

IUPAC(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC(C)C1(C)C
InChIInChI=1S/C13H22O2/c1-9(2)11(14)15-13(6)8-7-10(3)12(13,4)5/h10H,1,7-8H2,2-6H3
InChIKeyIAXFKKKYPBRWTI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate

(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 164546927) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
PubChem CID164546927
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CCC(C)C1(C)C
InChIInChI=1S/C13H22O2/c1-9(2)11(14)15-13(6)8-7-10(3)12(13,4)5/h10H,1,7-8H2,2-6H3
InChIKeyIAXFKKKYPBRWTI-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 141031450
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
(1-cyclohexyl-2,2,4-trimethylcyclopentyl) 2-methylprop-2-enoate
CID 122533297
[1-(5-hydroxypentyl)-2-methylcyclobutyl] 2-methylprop-2-enoate
CID 123644539
(1,2,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 174204067
(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533336
[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate
CID 88975949
(1-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343
[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2-methylprop-2-enoate
CID 174537266
(4-cyclopropylspiro[4.5]decan-4-yl) 2-methylprop-2-enoate
CID 122533410

Frequently Asked Questions

What is the IUPAC name of (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate?
The IUPAC name of (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate (CID 164546927) is (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCC(C)C1(C)C.
What is the InChIKey of (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate?
The InChIKey is IAXFKKKYPBRWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)11(14)15-13(6)8-7-10(3)12(13,4)5/h10H,1,7-8H2,2-6H3.
What are the key properties of (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate?
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 164546927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).