[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane

C16H24O2Si — CID 10540448

IUPAC[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
SMILESCOC(C#C[Si](C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H24O2Si/c1-14(16(17-2)11-12-19(3,4)5)18-13-15-9-7-6-8-10-15/h6-10,14,16H,13H2,1-5H3/t14-,16?/m0/s1
InChIKeyMACQEKQEQPHPPM-LBAUFKAWSA-N
MW276.45 g/mol
LogP3.49
Rot. Bonds5

About [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane

[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane (PubChem CID 10540448) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
PubChem CID10540448
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
SMILESCOC(C#C[Si](C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H24O2Si/c1-14(16(17-2)11-12-19(3,4)5)18-13-15-9-7-6-8-10-15/h6-10,14,16H,13H2,1-5H3/t14-,16?/m0/s1
InChIKeyMACQEKQEQPHPPM-LBAUFKAWSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
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

N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane
CID 11781130
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 10596397
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-5-trimethylsilylpent-4-yn-1-ol
CID 166591836
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(4S)-3-[2-methyl-3-[(1R)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10502726
(3R,4S,5S,6S)-4,5,6-tris(phenylmethoxy)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102210980
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
(3S,4S)-4-phenylmethoxypent-1-yn-3-amine
CID 130942712
(4R)-3-[(3R,4S,5S)-4-hydroxy-5-phenylmethoxy-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11419224
(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
CID 11456085

Frequently Asked Questions

What is the IUPAC name of [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane?
The IUPAC name of [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane (CID 10540448) is [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane is COC(C#C[Si](C)(C)C)[C@H](C)OCc1ccccc1.
What is the InChIKey of [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane?
The InChIKey is MACQEKQEQPHPPM-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-14(16(17-2)11-12-19(3,4)5)18-13-15-9-7-6-8-10-15/h6-10,14,16H,13H2,1-5H3/t14-,16?/m0/s1.
What are the key properties of [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane?
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane has a molecular weight of 276.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10540448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).