tert-butyl 1-hydroxycyclopentane-1-carboxylate

C10H18O3 — CID 86626433

IUPACtert-butyl 1-hydroxycyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(O)CCCC1
InChIInChI=1S/C10H18O3/c1-9(2,3)13-8(11)10(12)6-4-5-7-10/h12H,4-7H2,1-3H3
InChIKeyZCXWJSSXAUXUEH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl 1-hydroxycyclopentane-1-carboxylate

tert-butyl 1-hydroxycyclopentane-1-carboxylate (PubChem CID 86626433) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl 1-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-hydroxycyclopentane-1-carboxylate
PubChem CID86626433
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nametert-butyl 1-hydroxycyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(O)CCCC1
InChIInChI=1S/C10H18O3/c1-9(2,3)13-8(11)10(12)6-4-5-7-10/h12H,4-7H2,1-3H3
InChIKeyZCXWJSSXAUXUEH-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-aminocyclohexane-1-carboxylate;formic acid
CID 174428649
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tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate
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tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
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tert-butyl 1-methoxycyclopropane-1-carboxylate
CID 156662901
tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate
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2-(1-hydroxycyclopropanecarbonyl)oxy-2-methylbutanoic acid
CID 57141770
1-O-tert-butyl 2-O-methyl 1-hydroxycyclohexane-1,2-dicarboxylate
CID 141117000
4-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 23149699
tert-butyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 130268262
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-hydroxycyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-hydroxycyclopentane-1-carboxylate (CID 86626433) is tert-butyl 1-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-hydroxycyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1(O)CCCC1.
What is the InChIKey of tert-butyl 1-hydroxycyclopentane-1-carboxylate?
The InChIKey is ZCXWJSSXAUXUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,3)13-8(11)10(12)6-4-5-7-10/h12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 1-hydroxycyclopentane-1-carboxylate?
tert-butyl 1-hydroxycyclopentane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 86626433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).