(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid

C19H28O3Si — CID 140540638

IUPAC(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
SMILESC#CCC[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H28O3Si/c1-7-8-14-16(18(20)21)17(15-12-10-9-11-13-15)22-23(5,6)19(2,3)4/h1,9-13,16-17H,8,14H2,2-6H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyPBFRLNSQQDIADY-SJORKVTESA-N
MW332.52 g/mol
LogP4.86
Rot. Bonds7

About (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid

(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid (PubChem CID 140540638) has the molecular formula C19H28O3Si and a molecular weight of 332.52 g/mol. Its IUPAC name is (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid.

Molecular Properties

Compound Name(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
PubChem CID140540638
Molecular FormulaC19H28O3Si
Molecular Weight332.52 g/mol
Exact Mass332.18
IUPAC Name(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
SMILESC#CCC[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H28O3Si/c1-7-8-14-16(18(20)21)17(15-12-10-9-11-13-15)22-23(5,6)19(2,3)4/h1,9-13,16-17H,8,14H2,2-6H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyPBFRLNSQQDIADY-SJORKVTESA-N
XLogP4.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[tert-butyl(dimethyl)silyl]oxy-(5-fluoro-3-pyridinyl)methyl]hex-5-ynoic acid
CID 87206707
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-yn-2-yl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 87211450
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-diphenylphosphoryl-1-phenylpropan-2-ol
CID 24813675
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoic acid
CID 135039835
tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane
CID 102243203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid?
The IUPAC name of (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid (CID 140540638) is (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid.
What is the SMILES notation for (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid?
The canonical SMILES for (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid is C#CCC[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid?
The InChIKey is PBFRLNSQQDIADY-SJORKVTESA-N. The full InChI is InChI=1S/C19H28O3Si/c1-7-8-14-16(18(20)21)17(15-12-10-9-11-13-15)22-23(5,6)19(2,3)4/h1,9-13,16-17H,8,14H2,2-6H3,(H,20,21)/t16-,17+/m1/s1.
What are the key properties of (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid?
(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid has a molecular weight of 332.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid is sourced from PubChem (CID 140540638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).