dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate

C15H24O5Si — CID 25208498

IUPACdimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@@]12CC=C(O[Si](C)(C)C)CC2
InChIInChI=1S/C15H24O5Si/c1-18-12(16)15(13(17)19-2)10-14(15)8-6-11(7-9-14)20-21(3,4)5/h6H,7-10H2,1-5H3/t14-/m0/s1
InChIKeyNAVUPURAJSFTJG-AWEZNQCLSA-N
MW312.44 g/mol
LogP2.63
Rot. Bonds4

About dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate

dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate (PubChem CID 25208498) has the molecular formula C15H24O5Si and a molecular weight of 312.44 g/mol. Its IUPAC name is dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
PubChem CID25208498
Molecular FormulaC15H24O5Si
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Namedimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@@]12CC=C(O[Si](C)(C)C)CC2
InChIInChI=1S/C15H24O5Si/c1-18-12(16)15(13(17)19-2)10-14(15)8-6-11(7-9-14)20-21(3,4)5/h6H,7-10H2,1-5H3/t14-/m0/s1
InChIKeyNAVUPURAJSFTJG-AWEZNQCLSA-N
XLogP2.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethyl 6-oxospiro[2.5]octane-2,2-dicarboxylate
CID 25208497
2-O-ethyl 1-O-methyl 1-O'-propan-2-yl (1R,2S)-4-trimethylsilyloxycyclohex-4-ene-1,1,2-tricarboxylate
CID 134979345
methyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 580337
dimethyl (1R,5S)-2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 727231
dimethyl 3-bromocyclopent-3-ene-1,1-dicarboxylate
CID 175563415
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
(4,4-dimethylcyclohexen-1-yl)oxy-triethylsilane
CID 101201262
methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
CID 10913555
tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane
CID 174035895
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate?
The IUPAC name of dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate (CID 25208498) is dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate?
The canonical SMILES for dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)C[C@@]12CC=C(O[Si](C)(C)C)CC2.
What is the InChIKey of dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate?
The InChIKey is NAVUPURAJSFTJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24O5Si/c1-18-12(16)15(13(17)19-2)10-14(15)8-6-11(7-9-14)20-21(3,4)5/h6H,7-10H2,1-5H3/t14-/m0/s1.
What are the key properties of dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate?
dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate has a molecular weight of 312.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-6-trimethylsilyloxyspiro[2.5]oct-6-ene-2,2-dicarboxylate is sourced from PubChem (CID 25208498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).