tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate

C11H18O3 — CID 10943457

IUPACtert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCCC1CO
InChIInChI=1S/C11H18O3/c1-11(2,3)14-10(13)9-6-4-5-8(9)7-12/h6,8,12H,4-5,7H2,1-3H3
InChIKeyOEXPBBRBEZKMGW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate

tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate (PubChem CID 10943457) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate
PubChem CID10943457
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nametert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCCC1CO
InChIInChI=1S/C11H18O3/c1-11(2,3)14-10(13)9-6-4-5-8(9)7-12/h6,8,12H,4-5,7H2,1-3H3
InChIKeyOEXPBBRBEZKMGW-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(methylsulfinylmethylsulfanylmethyl)cyclopentene-1-carboxylate
CID 18173177
ditert-butyl bicyclo[2.2.1]hepta-2,5-diene-2,5-dicarboxylate
CID 100946823
tert-butyl 2-(2-bromocyclohex-2-en-1-yl)acetate
CID 10880330
tert-butyl 3-cyanocyclohex-3-ene-1-carboxylate
CID 86729361
methyl (5R)-5-tert-butylcyclopentene-1-carboxylate
CID 101263082
tert-butyl (1R,5S)-bicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 11820306
tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate
CID 174868783
6-O-tert-butyl 5-O-methyl 1,2,3,6-tetrahydropyridine-5,6-dicarboxylate
CID 149019352
tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
CID 155296742
ditert-butyl bicyclo[2.2.1]hept-2-ene-2,6-dicarboxylate
CID 159874009
tert-butyl 4-(cyclohex-2-en-1-ylmethoxy)-5,5-dimethyl-2-oxofuran-3-carboxylate
CID 53468891
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CID 14760326

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate?
The IUPAC name of tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate (CID 10943457) is tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate?
The canonical SMILES for tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate is CC(C)(C)OC(=O)C1=CCCC1CO.
What is the InChIKey of tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate?
The InChIKey is OEXPBBRBEZKMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2,3)14-10(13)9-6-4-5-8(9)7-12/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate?
tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 10943457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).