methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate

C19H30O3Si — CID 101058399

IUPACmethyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-8-12-16(18(20)21-5)17(15-13-10-9-11-14-15)22-23(6,7)19(2,3)4/h8-11,13-14,16-17H,1,12H2,2-7H3/t16-,17-/m1/s1
InChIKeyKOIMVLMGHXEADY-IAGOWNOFSA-N
MW334.53 g/mol
LogP5.11
Rot. Bonds7

About methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate

methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate (PubChem CID 101058399) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
PubChem CID101058399
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Namemethyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
SMILESC=CC[C@@H](C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-8-12-16(18(20)21-5)17(15-13-10-9-11-14-15)22-23(6,7)19(2,3)4/h8-11,13-14,16-17H,1,12H2,2-7H3/t16-,17-/m1/s1
InChIKeyKOIMVLMGHXEADY-IAGOWNOFSA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.11
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'}

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Related Compounds

methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
CID 140540638
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
(1S,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-1-chloro-1-phenylhex-5-en-3-ol
CID 134851798
methyl (2S)-2-[(R)-(dibenzylamino)-phenylmethyl]pent-4-enoate
CID 139191551
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate?
The IUPAC name of methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate (CID 101058399) is methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate?
The canonical SMILES for methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate is C=CC[C@@H](C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate?
The InChIKey is KOIMVLMGHXEADY-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-8-12-16(18(20)21-5)17(15-13-10-9-11-14-15)22-23(6,7)19(2,3)4/h8-11,13-14,16-17H,1,12H2,2-7H3/t16-,17-/m1/s1.
What are the key properties of methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate?
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate has a molecular weight of 334.53 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate is sourced from PubChem (CID 101058399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).