methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate

C19H36O3Si — CID 134943935

IUPACmethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H36O3Si/c1-15(14-18(20)21-5)13-17(16-11-9-8-10-12-16)22-23(6,7)19(2,3)4/h14,16-17H,8-13H2,1-7H3/b15-14+/t17-/m1/s1
InChIKeyFSVWBAHJPNPFRY-IAOULYHDSA-N
MW340.58 g/mol
LogP5.47
Rot. Bonds6

About methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate

methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate (PubChem CID 134943935) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
PubChem CID134943935
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Namemethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C19H36O3Si/c1-15(14-18(20)21-5)13-17(16-11-9-8-10-12-16)22-23(6,7)19(2,3)4/h14,16-17H,8-13H2,1-7H3/b15-14+/t17-/m1/s1
InChIKeyFSVWBAHJPNPFRY-IAOULYHDSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.47
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

(2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 91595253
(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one
CID 100954480
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
[3-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentylethyl]amino]methyl]oxetan-3-yl]methanol
CID 167809144
[(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamic acid
CID 67852615
tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane
CID 54075058
methyl (2R,4S,5S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexyl-5-hydroxy-2,4,6-trimethyl-7-oxooctanoate
CID 134870353
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 11226527
1,3-dihexoxypropan-2-yl 8-[[2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylethyl]amino]octanoate
CID 176613721
(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
CID 10924033

Frequently Asked Questions

What is the IUPAC name of methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate?
The IUPAC name of methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate (CID 134943935) is methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate.
What is the SMILES notation for methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate?
The canonical SMILES for methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate is COC(=O)/C=C(\C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate?
The InChIKey is FSVWBAHJPNPFRY-IAOULYHDSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-15(14-18(20)21-5)13-17(16-11-9-8-10-12-16)22-23(6,7)19(2,3)4/h14,16-17H,8-13H2,1-7H3/b15-14+/t17-/m1/s1.
What are the key properties of methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate?
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate has a molecular weight of 340.58 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate is sourced from PubChem (CID 134943935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).