[(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane

C23H38O2Si — CID 10667160

IUPAC[(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane
SMILESC#C[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)CCCOCc1ccccc1
InChIInChI=1S/C23H38O2Si/c1-7-20(5)23(25-26(8-2,9-3)10-4)21(6)15-14-18-24-19-22-16-12-11-13-17-22/h1,11-13,16-17,20-21,23H,8-10,14-15,18-19H2,2-6H3/t20-,21+,23+/m0/s1
InChIKeyDXZPQDPAUIHDQW-QZNHQXDQSA-N
MW374.64 g/mol
LogP6.28
Rot. Bonds13

About [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane

[(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane (PubChem CID 10667160) has the molecular formula C23H38O2Si and a molecular weight of 374.64 g/mol. Its IUPAC name is [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane
PubChem CID10667160
Molecular FormulaC23H38O2Si
Molecular Weight374.64 g/mol
Exact Mass374.26
IUPAC Name[(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane
SMILESC#C[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)CCCOCc1ccccc1
InChIInChI=1S/C23H38O2Si/c1-7-20(5)23(25-26(8-2,9-3)10-4)21(6)15-14-18-24-19-22-16-12-11-13-17-22/h1,11-13,16-17,20-21,23H,8-10,14-15,18-19H2,2-6H3/t20-,21+,23+/m0/s1
InChIKeyDXZPQDPAUIHDQW-QZNHQXDQSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane?
The IUPAC name of [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane (CID 10667160) is [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane?
The canonical SMILES for [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane is C#C[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)CCCOCc1ccccc1.
What is the InChIKey of [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane?
The InChIKey is DXZPQDPAUIHDQW-QZNHQXDQSA-N. The full InChI is InChI=1S/C23H38O2Si/c1-7-20(5)23(25-26(8-2,9-3)10-4)21(6)15-14-18-24-19-22-16-12-11-13-17-22/h1,11-13,16-17,20-21,23H,8-10,14-15,18-19H2,2-6H3/t20-,21+,23+/m0/s1.
What are the key properties of [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane?
[(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane has a molecular weight of 374.64 g/mol, XLogP of 6.28, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R)-3,5-dimethyl-8-phenylmethoxyoct-1-yn-4-yl]oxy-triethylsilane is sourced from PubChem (CID 10667160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).