tert-butyl 2-(cyclopentylmethoxy)acetate

C12H22O3 — CID 174164235

IUPACtert-butyl 2-(cyclopentylmethoxy)acetate
SMILESCC(C)(C)OC(=O)COCC1CCCC1
InChIInChI=1S/C12H22O3/c1-12(2,3)15-11(13)9-14-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3
InChIKeyLPCOBWSVAACOPW-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl 2-(cyclopentylmethoxy)acetate

tert-butyl 2-(cyclopentylmethoxy)acetate (PubChem CID 174164235) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is tert-butyl 2-(cyclopentylmethoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopentylmethoxy)acetate
PubChem CID174164235
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nametert-butyl 2-(cyclopentylmethoxy)acetate
SMILESCC(C)(C)OC(=O)COCC1CCCC1
InChIInChI=1S/C12H22O3/c1-12(2,3)15-11(13)9-14-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3
InChIKeyLPCOBWSVAACOPW-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one
CID 62383747
tert-butyl 2-[(3-hydroxycyclohexyl)methoxy]acetate;tert-butyl-methyl-diphenyl-λ4-sulfane
CID 142936166
tert-butyl 2-(cyclopentyloxyamino)acetate
CID 83228289
tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate
CID 71171552
tert-butyl 2-(2-piperidin-2-ylethoxy)acetate
CID 71057140
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
CID 142797891
ethanethiol;2-iodooxypropan-2-yl 2-[[4-(hydroxymethyl)cyclohexyl]methoxy]acetate
CID 177324918
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethanethioic S-acid
CID 89359351
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopentylmethoxy)acetate?
The IUPAC name of tert-butyl 2-(cyclopentylmethoxy)acetate (CID 174164235) is tert-butyl 2-(cyclopentylmethoxy)acetate.
What is the SMILES notation for tert-butyl 2-(cyclopentylmethoxy)acetate?
The canonical SMILES for tert-butyl 2-(cyclopentylmethoxy)acetate is CC(C)(C)OC(=O)COCC1CCCC1.
What is the InChIKey of tert-butyl 2-(cyclopentylmethoxy)acetate?
The InChIKey is LPCOBWSVAACOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(2,3)15-11(13)9-14-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclopentylmethoxy)acetate?
tert-butyl 2-(cyclopentylmethoxy)acetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopentylmethoxy)acetate is sourced from PubChem (CID 174164235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).