[(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

C14H23ClOSi — CID 16747685

IUPAC[(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESC#CCC[C@H]1O[C@@H](C)[C@H](C)C(Cl)=C1[Si](C)(C)C
InChIInChI=1S/C14H23ClOSi/c1-7-8-9-12-14(17(4,5)6)13(15)10(2)11(3)16-12/h1,10-12H,8-9H2,2-6H3/t10-,11-,12+/m0/s1
InChIKeyXUMJCDKNHUNFGE-SDDRHHMPSA-N
MW270.88 g/mol
LogP4.19
Rot. Bonds3

About [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

[(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 16747685) has the molecular formula C14H23ClOSi and a molecular weight of 270.88 g/mol. Its IUPAC name is [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID16747685
Molecular FormulaC14H23ClOSi
Molecular Weight270.88 g/mol
Exact Mass270.12
IUPAC Name[(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESC#CCC[C@H]1O[C@@H](C)[C@H](C)C(Cl)=C1[Si](C)(C)C
InChIInChI=1S/C14H23ClOSi/c1-7-8-9-12-14(17(4,5)6)13(15)10(2)11(3)16-12/h1,10-12H,8-9H2,2-6H3/t10-,11-,12+/m0/s1
InChIKeyXUMJCDKNHUNFGE-SDDRHHMPSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.88
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 16747685) is [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is C#CCC[C@H]1O[C@@H](C)[C@H](C)C(Cl)=C1[Si](C)(C)C.
What is the InChIKey of [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is XUMJCDKNHUNFGE-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H23ClOSi/c1-7-8-9-12-14(17(4,5)6)13(15)10(2)11(3)16-12/h1,10-12H,8-9H2,2-6H3/t10-,11-,12+/m0/s1.
What are the key properties of [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 270.88 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6R)-6-but-3-ynyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 16747685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).