dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate

C19H32O5Si — CID 10316970

IUPACdimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2(CCCCC2)C2(C1)OC2(C)[Si](C)(C)C
InChIInChI=1S/C19H32O5Si/c1-16(25(4,5)6)19(24-16)13-18(14(20)22-2,15(21)23-3)12-17(19)10-8-7-9-11-17/h7-13H2,1-6H3
InChIKeyQEKZPHCQKAOBMK-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.47
Rot. Bonds3

About dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate

dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate (PubChem CID 10316970) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate
PubChem CID10316970
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Namedimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2(CCCCC2)C2(C1)OC2(C)[Si](C)(C)C
InChIInChI=1S/C19H32O5Si/c1-16(25(4,5)6)19(24-16)13-18(14(20)22-2,15(21)23-3)12-17(19)10-8-7-9-11-17/h7-13H2,1-6H3
InChIKeyQEKZPHCQKAOBMK-UHFFFAOYSA-N
XLogP3.47
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.47
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 10549739
trans-dimethyl (3R,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10782677
ethyl (1S,3aR,4R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,7,7,7a-tetramethylspiro[3,4,5,6-tetrahydro-1H-indene-2,2'-oxirane]-1-carboxylate
CID 11177356
trans-dimethyl (3S,5R)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101718900
cis-dimethyl (3R,5R)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101718901
cis-dimethyl (3S,5S)-3-methoxy-2,2-dimethyl-5-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101718902
trans-dimethyl (3S,5R)-3-methoxy-2,2-dimethyl-5-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 101718912
cis-dimethyl (3R,5R)-3-methoxy-2,2-dimethyl-5-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 101718913
cis-dimethyl (3S,5S)-3-methoxy-2,2-dimethyl-5-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 101718914
diethyl (2S,3R,4R)-4-(tributylstannylmethyl)-2-trimethylsilyl-1-oxaspiro[2.4]heptane-6,6-dicarboxylate
CID 177453522

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate (CID 10316970) is dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate is COC(=O)C1(C(=O)OC)CC2(CCCCC2)C2(C1)OC2(C)[Si](C)(C)C.
What is the InChIKey of dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate?
The InChIKey is QEKZPHCQKAOBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-16(25(4,5)6)19(24-16)13-18(14(20)22-2,15(21)23-3)12-17(19)10-8-7-9-11-17/h7-13H2,1-6H3.
What are the key properties of dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate?
dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate has a molecular weight of 368.55 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-1-trimethylsilyl-2-oxadispiro[2.0.54.33]dodecane-11,11-dicarboxylate is sourced from PubChem (CID 10316970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).