(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate

C14H26O2 — CID 18731038

IUPAC(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C)C(C)CCC1(C)C
InChIInChI=1S/C14H26O2/c1-7-10(2)12(15)16-14(6)11(3)8-9-13(14,4)5/h10-11H,7-9H2,1-6H3
InChIKeyDFVVEIUZZZKGCN-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds3

About (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate

(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate (PubChem CID 18731038) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate.

Molecular Properties

Compound Name(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate
PubChem CID18731038
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C)C(C)CCC1(C)C
InChIInChI=1S/C14H26O2/c1-7-10(2)12(15)16-14(6)11(3)8-9-13(14,4)5/h10-11H,7-9H2,1-6H3
InChIKeyDFVVEIUZZZKGCN-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate
CID 59445796
(1-pentan-3-ylcyclopentyl) 2-methylbutanoate
CID 121368391
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(1,8-dihydroxy-3-tricyclo[4.3.1.13,8]undecanyl) 2-methylbutanoate
CID 20752223
[(1R,3S,5R)-4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] 2-methylbutanoate
CID 122232898
fluoroform;(2-methyl-2-adamantyl) 2-methylbutanoate
CID 90738806
[2-(1-methylcyclohexyl)-2-adamantyl] 2-methylbutanoate
CID 122644604
[1-(3-methylpentan-3-yl)cyclopentyl] 2-methylbutanoate
CID 122644606
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate
CID 21131318
[(3S)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl] 2-methylbutanoate
CID 172693361
[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylbutanoate
CID 91748871

Frequently Asked Questions

What is the IUPAC name of (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate?
The IUPAC name of (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate (CID 18731038) is (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate.
What is the SMILES notation for (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate?
The canonical SMILES for (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate is CCC(C)C(=O)OC1(C)C(C)CCC1(C)C.
What is the InChIKey of (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate?
The InChIKey is DFVVEIUZZZKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-10(2)12(15)16-14(6)11(3)8-9-13(14,4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate?
(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate has a molecular weight of 226.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate is sourced from PubChem (CID 18731038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).