methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate

C10H14O5 — CID 16663498

IUPACmethyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate
SMILESCOC(=O)/C=C1\O[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C10H14O5/c1-10(2,3)9-14-6(8(12)15-9)5-7(11)13-4/h5,9H,1-4H3/b6-5-/t9-/m0/s1
InChIKeyXJUQLNNLEGUFJK-UDIARPCQSA-N
MW214.22 g/mol
LogP0.99
Rot. Bonds1

About methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate

methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate (PubChem CID 16663498) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate
PubChem CID16663498
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate
SMILESCOC(=O)/C=C1\O[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C10H14O5/c1-10(2,3)9-14-6(8(12)15-9)5-7(11)13-4/h5,9H,1-4H3/b6-5-/t9-/m0/s1
InChIKeyXJUQLNNLEGUFJK-UDIARPCQSA-N
XLogP0.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 85213113
methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate
CID 23248867
methyl (2Z)-2-[(5S)-5-methyloxolan-2-ylidene]acetate
CID 12012875
methyl (2E)-2-[5-oxo-4-(trifluoromethylsulfonyloxy)furan-2-ylidene]acetate
CID 177410193
methyl (2E)-2-[5-(4-methoxyphenyl)-4-methyl-3-oxofuran-2-ylidene]acetate
CID 6366581
2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxane-4,6-dione
CID 141236108
methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate
CID 177429398
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetate
CID 10622375
methyl (2Z)-2-[5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
CID 6369404
benzyl (1S,4Z,5R)-6-[tert-butyl(dimethyl)silyl]-4-(2-methoxy-2-oxoethylidene)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70018383
tert-butyl (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetate
CID 15669798
methyl (2E)-2-[5-(iodomethyl)oxolan-2-ylidene]acetate
CID 11161842

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate (CID 16663498) is methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate is COC(=O)/C=C1\O[C@H](C(C)(C)C)OC1=O.
What is the InChIKey of methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate?
The InChIKey is XJUQLNNLEGUFJK-UDIARPCQSA-N. The full InChI is InChI=1S/C10H14O5/c1-10(2,3)9-14-6(8(12)15-9)5-7(11)13-4/h5,9H,1-4H3/b6-5-/t9-/m0/s1.
What are the key properties of methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate?
methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate has a molecular weight of 214.22 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-ylidene]acetate is sourced from PubChem (CID 16663498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).