methyl (5R)-5-tert-butylcyclopentene-1-carboxylate

C11H18O2 — CID 101263082

IUPACmethyl (5R)-5-tert-butylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=CCC[C@@H]1C(C)(C)C
InChIInChI=1S/C11H18O2/c1-11(2,3)9-7-5-6-8(9)10(12)13-4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyZGTZDLPOBWHMBW-VIFPVBQESA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds1

About methyl (5R)-5-tert-butylcyclopentene-1-carboxylate

methyl (5R)-5-tert-butylcyclopentene-1-carboxylate (PubChem CID 101263082) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (5R)-5-tert-butylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-5-tert-butylcyclopentene-1-carboxylate
PubChem CID101263082
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (5R)-5-tert-butylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=CCC[C@@H]1C(C)(C)C
InChIInChI=1S/C11H18O2/c1-11(2,3)9-7-5-6-8(9)10(12)13-4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyZGTZDLPOBWHMBW-VIFPVBQESA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
methyl (5S)-5-phenylcyclopentene-1-carboxylate
CID 11401436
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CID 102276542
methyl 2-acetyl-3a,6,7,7a-tetrahydro-1H-indene-4-carboxylate
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dimethyl 3-tert-butylcyclobutene-1,2-dicarboxylate
CID 100947328
6-O-tert-butyl 5-O-methyl 1,2,3,6-tetrahydropyridine-5,6-dicarboxylate
CID 149019352
methyl 4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate
CID 71384885
tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate
CID 10943457
2-O-methyl 1-O-(2,2,2-trichloroethyl) cyclohex-2-ene-1,2-dicarboxylate
CID 102481352
tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate
CID 174868783
methyl 3-tert-butylcyclopentene-1-carboxylate
CID 15330595
8-O-tert-butyl 2-O-methyl bicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 154455551

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-tert-butylcyclopentene-1-carboxylate?
The IUPAC name of methyl (5R)-5-tert-butylcyclopentene-1-carboxylate (CID 101263082) is methyl (5R)-5-tert-butylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5R)-5-tert-butylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (5R)-5-tert-butylcyclopentene-1-carboxylate is COC(=O)C1=CCC[C@@H]1C(C)(C)C.
What is the InChIKey of methyl (5R)-5-tert-butylcyclopentene-1-carboxylate?
The InChIKey is ZGTZDLPOBWHMBW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2,3)9-7-5-6-8(9)10(12)13-4/h6,9H,5,7H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl (5R)-5-tert-butylcyclopentene-1-carboxylate?
methyl (5R)-5-tert-butylcyclopentene-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-tert-butylcyclopentene-1-carboxylate is sourced from PubChem (CID 101263082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).