5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane

C20H38O2Si — CID 59386480

IUPAC5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane
SMILESCCC(CCC#C[Si](C)(C)C)O[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C20H38O2Si/c1-9-18(13-11-12-14-23(6,7)8)21-20-17(5)15(3)16(4)19(10-2)22-20/h15-20H,9-11,13H2,1-8H3/t15-,16+,17?,18?,19?,20+/m0/s1
InChIKeyCIILUZLNJXUUKM-AVTNHOIMSA-N
MW338.61 g/mol
LogP5.49
Rot. Bonds6

About 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane

5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane (PubChem CID 59386480) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane
PubChem CID59386480
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane
SMILESCCC(CCC#C[Si](C)(C)C)O[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C20H38O2Si/c1-9-18(13-11-12-14-23(6,7)8)21-20-17(5)15(3)16(4)19(10-2)22-20/h15-20H,9-11,13H2,1-8H3/t15-,16+,17?,18?,19?,20+/m0/s1
InChIKeyCIILUZLNJXUUKM-AVTNHOIMSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.49
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane?
The IUPAC name of 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane (CID 59386480) is 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane.
What is the SMILES notation for 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane?
The canonical SMILES for 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane is CCC(CCC#C[Si](C)(C)C)O[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C.
What is the InChIKey of 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane?
The InChIKey is CIILUZLNJXUUKM-AVTNHOIMSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-9-18(13-11-12-14-23(6,7)8)21-20-17(5)15(3)16(4)19(10-2)22-20/h15-20H,9-11,13H2,1-8H3/t15-,16+,17?,18?,19?,20+/m0/s1.
What are the key properties of 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane?
5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane is sourced from PubChem (CID 59386480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).