dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate

C19H32O4Si — CID 102076886

IUPACdimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate
SMILESC=C1CCC(C(=O)OC)(C(=O)OC)C[C@@H]1/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O4Si/c1-14-9-11-19(16(20)22-5,17(21)23-6)13-15(14)10-12-24(7,8)18(2,3)4/h10,12,15H,1,9,11,13H2,2-8H3/b12-10+/t15-/m0/s1
InChIKeyBMBDZWKLFAQRIG-PABFRNLHSA-N
MW352.55 g/mol
LogP4.28
Rot. Bonds4

About dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate

dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate (PubChem CID 102076886) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate
PubChem CID102076886
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namedimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate
SMILESC=C1CCC(C(=O)OC)(C(=O)OC)C[C@@H]1/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O4Si/c1-14-9-11-19(16(20)22-5,17(21)23-6)13-15(14)10-12-24(7,8)18(2,3)4/h10,12,15H,1,9,11,13H2,2-8H3/b12-10+/t15-/m0/s1
InChIKeyBMBDZWKLFAQRIG-PABFRNLHSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate (CID 102076886) is dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate is C=C1CCC(C(=O)OC)(C(=O)OC)C[C@@H]1/C=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate?
The InChIKey is BMBDZWKLFAQRIG-PABFRNLHSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-14-9-11-19(16(20)22-5,17(21)23-6)13-15(14)10-12-24(7,8)18(2,3)4/h10,12,15H,1,9,11,13H2,2-8H3/b12-10+/t15-/m0/s1.
What are the key properties of dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate?
dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate has a molecular weight of 352.55 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclohexane-1,1-dicarboxylate is sourced from PubChem (CID 102076886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).