[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate

C14H26O3 — CID 118593263

IUPAC[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC1CCCC1OC(=O)C(C)(C)C
InChIInChI=1S/C14H26O3/c1-13(2,3)12(15)16-10-8-7-9-11(10)17-14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyDDTWQZGRJKAXAO-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.31
Rot. Bonds2

About [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate

[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate (PubChem CID 118593263) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate
PubChem CID118593263
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC1CCCC1OC(=O)C(C)(C)C
InChIInChI=1S/C14H26O3/c1-13(2,3)12(15)16-10-8-7-9-11(10)17-14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyDDTWQZGRJKAXAO-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-tert-butylsulfanylcyclohexyl] 2,2-dimethylpropanoate
CID 170542982
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
[(4R,5R)-5-hydroxydithian-4-yl] 2,2-dimethylpropanoate
CID 170710722
[(1R,4S)-4-chlorocyclohept-2-en-1-yl] 2,2-dimethylpropanoate
CID 131871895
CID 58107216
CID 58107216
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide
CID 166410255
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylpropanoate
CID 135213381

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate (CID 118593263) is [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate is CC(C)(C)OC1CCCC1OC(=O)C(C)(C)C.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate?
The InChIKey is DDTWQZGRJKAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(2,3)12(15)16-10-8-7-9-11(10)17-14(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate?
[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 118593263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).