methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate

C10H14O3 — CID 154066157

IUPACmethyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate
SMILESCOC(=O)C=C1C[C@]2(C)CCO[C@H]12
InChIInChI=1S/C10H14O3/c1-10-3-4-13-9(10)7(6-10)5-8(11)12-2/h5,9H,3-4,6H2,1-2H3/t9-,10+/m1/s1
InChIKeyIRJJZCNOOWZDTR-ZJUUUORDSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds1

About methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate

methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate (PubChem CID 154066157) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate
PubChem CID154066157
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate
SMILESCOC(=O)C=C1C[C@]2(C)CCO[C@H]12
InChIInChI=1S/C10H14O3/c1-10-3-4-13-9(10)7(6-10)5-8(11)12-2/h5,9H,3-4,6H2,1-2H3/t9-,10+/m1/s1
InChIKeyIRJJZCNOOWZDTR-ZJUUUORDSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate with MolForge

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Related Compounds

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CID 178191203
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CID 177429398
methyl (2R,3R,5E)-3-ethyl-2-methoxy-5-(2-methoxy-2-oxoethylidene)-2-methyloxolane-3-carboxylate
CID 11482659
methyl 2-(1-methyl-6-oxabicyclo[3.1.0]hexan-2-ylidene)acetate
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methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192
methyl (E)-3-(1-methylcyclopropyl)prop-2-enoate
CID 171541170
methyl (2E)-2-(oxolan-2-ylidene)acetate
CID 12999931
methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
methyl 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)acetate
CID 123700194
methyl 2-[(1S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 162953192
CID 69133458
CID 69133458
CID 123483307
CID 123483307

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate?
The IUPAC name of methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate (CID 154066157) is methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate.
What is the SMILES notation for methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate?
The canonical SMILES for methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate is COC(=O)C=C1C[C@]2(C)CCO[C@H]12.
What is the InChIKey of methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate?
The InChIKey is IRJJZCNOOWZDTR-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O3/c1-10-3-4-13-9(10)7(6-10)5-8(11)12-2/h5,9H,3-4,6H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate?
methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate has a molecular weight of 182.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,5R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-ylidene]acetate is sourced from PubChem (CID 154066157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).