methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate

C17H32O3Si — CID 101476822

IUPACmethyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
SMILES[2H]/C=C(\C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H32O3Si/c1-13(16(18)19-5)15(14-11-9-8-10-12-14)20-21(6,7)17(2,3)4/h14-15H,1,8-12H2,2-7H3/t15-/m0/s1/i1D/b13-1-
InChIKeyISRAKYYDKVQVKA-SVJYJBGNSA-N
MW313.53 g/mol
LogP4.69
Rot. Bonds5

About methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate

methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate (PubChem CID 101476822) has the molecular formula C17H32O3Si and a molecular weight of 313.53 g/mol. Its IUPAC name is methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
PubChem CID101476822
Molecular FormulaC17H32O3Si
Molecular Weight313.53 g/mol
Exact Mass313.22
IUPAC Namemethyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
SMILES[2H]/C=C(\C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H32O3Si/c1-13(16(18)19-5)15(14-11-9-8-10-12-14)20-21(6,7)17(2,3)4/h14-15H,1,8-12H2,2-7H3/t15-/m0/s1/i1D/b13-1-
InChIKeyISRAKYYDKVQVKA-SVJYJBGNSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-[acetyloxy(cyclohexyl)methyl]prop-2-enoate
CID 102177746
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
(z)-1-Cyclohexyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)prop-2-en-1-one
CID 171037539
methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate
CID 87659799
methyl (E)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate
CID 87659855
methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate
CID 87660882
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate
CID 89472490
4-[Tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 141324637
methyl (5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carboxylate
CID 173739612
trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate
CID 10062449
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate
CID 10639863
methyl (6S)-3-acetyloxy-6-methyl-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 10938588

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate?
The IUPAC name of methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate (CID 101476822) is methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate.
What is the SMILES notation for methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate?
The canonical SMILES for methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate is [2H]/C=C(\C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate?
The InChIKey is ISRAKYYDKVQVKA-SVJYJBGNSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-13(16(18)19-5)15(14-11-9-8-10-12-14)20-21(6,7)17(2,3)4/h14-15H,1,8-12H2,2-7H3/t15-/m0/s1/i1D/b13-1-.
What are the key properties of methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate?
methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate has a molecular weight of 313.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate is sourced from PubChem (CID 101476822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).