[2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate

C16H30O3 — CID 159843651

IUPAC[2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CCCC1C(C)(C)COC
InChIInChI=1S/C16H30O3/c1-7-15(2,3)14(17)19-13-10-8-9-12(13)16(4,5)11-18-6/h12-13H,7-11H2,1-6H3
InChIKeyLZROAHXBBCZPGX-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.81
Rot. Bonds6

About [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate

[2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate (PubChem CID 159843651) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
PubChem CID159843651
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name[2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CCCC1C(C)(C)COC
InChIInChI=1S/C16H30O3/c1-7-15(2,3)14(17)19-13-10-8-9-12(13)16(4,5)11-18-6/h12-13H,7-11H2,1-6H3
InChIKeyLZROAHXBBCZPGX-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl prop-2-enoate;(2-hydroxycyclohexyl) 2,2-dimethylbutanoate
CID 91133199
trans-(1R,2S)-1-methoxy-2-(2-methylbutan-2-yl)cyclohexane
CID 149361841
(1,1-dioxothiolan-2-yl) 2,2-dimethylbutanoate
CID 153448807
methoxymethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-dimethylbutanoate
CID 158143407
(4-chloro-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 20627264
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
CID 18336307
thian-2-yl 2,2-dimethylbutanoate
CID 23554134
methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373
(3-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate
CID 167550898
[2-[(2-methylpropan-2-yl)oxy]cyclopentyl] 2,2-dimethylpropanoate
CID 118593263
(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate (CID 159843651) is [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CCCC1C(C)(C)COC.
What is the InChIKey of [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
The InChIKey is LZROAHXBBCZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-7-15(2,3)14(17)19-13-10-8-9-12(13)16(4,5)11-18-6/h12-13H,7-11H2,1-6H3.
What are the key properties of [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate?
[2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate has a molecular weight of 270.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 159843651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).