methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate

C12H16O3 — CID 11310298

IUPACmethyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate
SMILESCOC(=O)/C=C1\COC[C@]12C=CCCC2
InChIInChI=1S/C12H16O3/c1-14-11(13)7-10-8-15-9-12(10)5-3-2-4-6-12/h3,5,7H,2,4,6,8-9H2,1H3/b10-7+/t12-/m1/s1
InChIKeyDTCMUJLXSCPBMM-OFFHKIPUSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds1

About methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate

methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate (PubChem CID 11310298) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate
PubChem CID11310298
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate
SMILESCOC(=O)/C=C1\COC[C@]12C=CCCC2
InChIInChI=1S/C12H16O3/c1-14-11(13)7-10-8-15-9-12(10)5-3-2-4-6-12/h3,5,7H,2,4,6,8-9H2,1H3/b10-7+/t12-/m1/s1
InChIKeyDTCMUJLXSCPBMM-OFFHKIPUSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate (CID 11310298) is methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate is COC(=O)/C=C1\COC[C@]12C=CCCC2.
What is the InChIKey of methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate?
The InChIKey is DTCMUJLXSCPBMM-OFFHKIPUSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11(13)7-10-8-15-9-12(10)5-3-2-4-6-12/h3,5,7H,2,4,6,8-9H2,1H3/b10-7+/t12-/m1/s1.
What are the key properties of methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate?
methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate has a molecular weight of 208.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate is sourced from PubChem (CID 11310298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).