(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol

C17H26O3Si — CID 166591836

IUPAC(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
SMILESCOc1ccc(COC(C#C[Si](C)(C)C)[C@@H](C)CO)cc1
InChIInChI=1S/C17H26O3Si/c1-14(12-18)17(10-11-21(3,4)5)20-13-15-6-8-16(19-2)9-7-15/h6-9,14,17-18H,12-13H2,1-5H3/t14-,17?/m0/s1
InChIKeyPKOIVDMAGRLQLZ-MBIQTGHCSA-N
MW306.48 g/mol
LogP3.09
Rot. Bonds6

About (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol

(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol (PubChem CID 166591836) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol.

Molecular Properties

Compound Name(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
PubChem CID166591836
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
SMILESCOc1ccc(COC(C#C[Si](C)(C)C)[C@@H](C)CO)cc1
InChIInChI=1S/C17H26O3Si/c1-14(12-18)17(10-11-21(3,4)5)20-13-15-6-8-16(19-2)9-7-15/h6-9,14,17-18H,12-13H2,1-5H3/t14-,17?/m0/s1
InChIKeyPKOIVDMAGRLQLZ-MBIQTGHCSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,3S,4S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylhept-5-yn-1-ol
CID 102590404
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(2R,3S,4R)-7,7-dimethoxy-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-1-ol
CID 11667279
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-5-methyl-8-trimethylsilyloct-7-yn-1-ol
CID 15606034
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
CID 24769801

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol?
The IUPAC name of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol (CID 166591836) is (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol.
What is the SMILES notation for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol?
The canonical SMILES for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol is COc1ccc(COC(C#C[Si](C)(C)C)[C@@H](C)CO)cc1.
What is the InChIKey of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol?
The InChIKey is PKOIVDMAGRLQLZ-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-14(12-18)17(10-11-21(3,4)5)20-13-15-6-8-16(19-2)9-7-15/h6-9,14,17-18H,12-13H2,1-5H3/t14-,17?/m0/s1.
What are the key properties of (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol?
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol has a molecular weight of 306.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol is sourced from PubChem (CID 166591836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).