tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate

C11H16O2 — CID 10845089

IUPACtert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate
SMILESC=C1C(C(=O)OC(C)(C)C)C12CC2
InChIInChI=1S/C11H16O2/c1-7-8(11(7)5-6-11)9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3
InChIKeyWQHWIXDMHIVZOB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.29
Rot. Bonds1

About tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate

tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate (PubChem CID 10845089) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate
PubChem CID10845089
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nametert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate
SMILESC=C1C(C(=O)OC(C)(C)C)C12CC2
InChIInChI=1S/C11H16O2/c1-7-8(11(7)5-6-11)9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3
InChIKeyWQHWIXDMHIVZOB-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
CID 58332012
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
tert-butyl cyclopropanecarboxylate
CID 157212632
(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 124639064
1-O-tert-butyl 2-O-methyl 3-methylidenepyrrolidine-1,2-dicarboxylate
CID 66788552
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
CID 2780298
tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307
tert-butyl 2-prop-2-ynyl-2-azaspiro[3.5]nonane-7-carboxylate
CID 176906175
tert-butyl 1-oxaspiro[2.5]octane-2-carboxylate
CID 24973135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate?
The IUPAC name of tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate (CID 10845089) is tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate?
The canonical SMILES for tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate is C=C1C(C(=O)OC(C)(C)C)C12CC2.
What is the InChIKey of tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate?
The InChIKey is WQHWIXDMHIVZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-8(11(7)5-6-11)9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3.
What are the key properties of tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate?
tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate is sourced from PubChem (CID 10845089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).