[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate

C19H36O3Si — CID 16745113

IUPAC[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=C
InChIInChI=1S/C19H36O3Si/c1-10-17(9)18(22-19(20)11-2)12-13-21-23(14(3)4,15(5)6)16(7)8/h10-11,14-18H,1-2,12-13H2,3-9H3/t17-,18+/m0/s1
InChIKeyYQMRZSGVMIYCBF-ZWKOTPCHSA-N
MW340.58 g/mol
LogP5.49
Rot. Bonds11

About [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate

[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate (PubChem CID 16745113) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate
PubChem CID16745113
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=C
InChIInChI=1S/C19H36O3Si/c1-10-17(9)18(22-19(20)11-2)12-13-21-23(14(3)4,15(5)6)16(7)8/h10-11,14-18H,1-2,12-13H2,3-9H3/t17-,18+/m0/s1
InChIKeyYQMRZSGVMIYCBF-ZWKOTPCHSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
ethyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylhept-2-enoate
CID 11141640
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-enoate
CID 11403840
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379849
(3S)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2,3-dihydropyran-6-one
CID 25186475
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 101211264
ethyl (E,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylhept-2-enoate
CID 134845345
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
ethyl (2E,4E,6S,7S,8S)-7-acetyloxy-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-2,4-dienoate
CID 134982850

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate?
The IUPAC name of [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate (CID 16745113) is [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate.
What is the SMILES notation for [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate?
The canonical SMILES for [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate is C=CC(=O)O[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=C.
What is the InChIKey of [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate?
The InChIKey is YQMRZSGVMIYCBF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-10-17(9)18(22-19(20)11-2)12-13-21-23(14(3)4,15(5)6)16(7)8/h10-11,14-18H,1-2,12-13H2,3-9H3/t17-,18+/m0/s1.
What are the key properties of [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate?
[(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate has a molecular weight of 340.58 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] prop-2-enoate is sourced from PubChem (CID 16745113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).