(1-methylcyclopentyl) 2,2,4-trimethylpentanoate

C14H26O2 — CID 148692117

IUPAC(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC1(C)CCCC1
InChIInChI=1S/C14H26O2/c1-11(2)10-13(3,4)12(15)16-14(5)8-6-7-9-14/h11H,6-10H2,1-5H3
InChIKeyNTROFXBHPTXLAS-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.93
Rot. Bonds4

About (1-methylcyclopentyl) 2,2,4-trimethylpentanoate

(1-methylcyclopentyl) 2,2,4-trimethylpentanoate (PubChem CID 148692117) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
PubChem CID148692117
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
SMILESCC(C)CC(C)(C)C(=O)OC1(C)CCCC1
InChIInChI=1S/C14H26O2/c1-11(2)10-13(3,4)12(15)16-14(5)8-6-7-9-14/h11H,6-10H2,1-5H3
InChIKeyNTROFXBHPTXLAS-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-methylcyclopentyl) 2,2,4,4-tetramethylpentanoate
CID 144560123
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
(1-ethylcycloheptyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162117868
(1-methylcyclopentyl) 2-methylpropyl carbonate
CID 54223354
bis(1-methyl-4-propan-2-ylcyclohexyl) 2,2-dimethylbutanedioate
CID 141067739
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592
(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate
CID 144560389
(1-methylcyclohexyl) 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate
CID 90942057
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
(1-methylcyclohexyl) 2-methyl-2-(sulfanylmethyl)butanoate
CID 174355146
(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate
CID 166970108
(1-methylcyclohexyl) 2,3,3-trimethylpentanoate
CID 123317170

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2,2,4-trimethylpentanoate?
The IUPAC name of (1-methylcyclopentyl) 2,2,4-trimethylpentanoate (CID 148692117) is (1-methylcyclopentyl) 2,2,4-trimethylpentanoate.
What is the SMILES notation for (1-methylcyclopentyl) 2,2,4-trimethylpentanoate?
The canonical SMILES for (1-methylcyclopentyl) 2,2,4-trimethylpentanoate is CC(C)CC(C)(C)C(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2,2,4-trimethylpentanoate?
The InChIKey is NTROFXBHPTXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)10-13(3,4)12(15)16-14(5)8-6-7-9-14/h11H,6-10H2,1-5H3.
What are the key properties of (1-methylcyclopentyl) 2,2,4-trimethylpentanoate?
(1-methylcyclopentyl) 2,2,4-trimethylpentanoate has a molecular weight of 226.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2,2,4-trimethylpentanoate is sourced from PubChem (CID 148692117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).