(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol

C18H24O2Si — CID 135020528

IUPAC(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC#C[C@H](O)c1ccccc1
InChIInChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-15-11-7-10-14-17(19)16-12-8-6-9-13-16/h6,8-9,12-13,17,19H,15H2,1-5H3/t17-/m0/s1
InChIKeyYRSADBBYUQMSAM-KRWDZBQOSA-N
MW300.47 g/mol
LogP3.75
Rot. Bonds3

About (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol

(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol (PubChem CID 135020528) has the molecular formula C18H24O2Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol.

Molecular Properties

Compound Name(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol
PubChem CID135020528
Molecular FormulaC18H24O2Si
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC#C[C@H](O)c1ccccc1
InChIInChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-15-11-7-10-14-17(19)16-12-8-6-9-13-16/h6,8-9,12-13,17,19H,15H2,1-5H3/t17-/m0/s1
InChIKeyYRSADBBYUQMSAM-KRWDZBQOSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.75
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

3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
CID 101213440
3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-yn-1-ol
CID 2760369
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
CID 134925763
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]but-2-yn-1-amine
CID 102079093
tert-butyl-(2-isothiocyanato-2-phenylethoxy)-dimethylsilane
CID 85240498
tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane
CID 10336521

Frequently Asked Questions

What is the IUPAC name of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol?
The IUPAC name of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol (CID 135020528) is (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol.
What is the SMILES notation for (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol?
The canonical SMILES for (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol is CC(C)(C)[Si](C)(C)OCC#CC#C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol?
The InChIKey is YRSADBBYUQMSAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24O2Si/c1-18(2,3)21(4,5)20-15-11-7-10-14-17(19)16-12-8-6-9-13-16/h6,8-9,12-13,17,19H,15H2,1-5H3/t17-/m0/s1.
What are the key properties of (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol?
(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol has a molecular weight of 300.47 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexa-2,4-diyn-1-ol is sourced from PubChem (CID 135020528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).