4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane

C14H24OSi — CID 102011452

IUPAC4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane
SMILESC[C@@H]1C=C[C@H](C)[C@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C14H24OSi/c1-12-9-10-13(2)15-14(12)8-6-7-11-16(3,4)5/h9-10,12-14H,6,8H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyKLDUXFUUVSOEBI-MJBXVCDLSA-N
MW236.43 g/mol
LogP3.63
Rot. Bonds2

About 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane

4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane (PubChem CID 102011452) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane
PubChem CID102011452
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane
SMILESC[C@@H]1C=C[C@H](C)[C@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C14H24OSi/c1-12-9-10-13(2)15-14(12)8-6-7-11-16(3,4)5/h9-10,12-14H,6,8H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyKLDUXFUUVSOEBI-MJBXVCDLSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11954549
(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran
CID 90365456
Trimethyl[(4E)-5-(oxan-2-yl)pent-4-en-1-yn-1-yl]silane
CID 10262993
[(2R,6R)-6-tert-butyl-2-methyl-2,5-dihydropyran-6-yl]-trimethylsilane
CID 101625299
[(2R,6S)-6-tert-butyl-2-methyl-2,5-dihydropyran-6-yl]-trimethylsilane
CID 101625300
Trimethyl-[2-(3,3,6-trimethyl-2,6-dihydropyran-2-yl)ethynyl]silane
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2-[(1S,4R,5R)-4-methoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]ethynyl-trimethylsilane
CID 102324826

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?
The IUPAC name of 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane (CID 102011452) is 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane.
What is the SMILES notation for 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?
The canonical SMILES for 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane is C[C@@H]1C=C[C@H](C)[C@H](CCC#C[Si](C)(C)C)O1.
What is the InChIKey of 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?
The InChIKey is KLDUXFUUVSOEBI-MJBXVCDLSA-N. The full InChI is InChI=1S/C14H24OSi/c1-12-9-10-13(2)15-14(12)8-6-7-11-16(3,4)5/h9-10,12-14H,6,8H2,1-5H3/t12-,13+,14-/m0/s1.
What are the key properties of 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane?
4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S,6R)-3,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]but-1-ynyl-trimethylsilane is sourced from PubChem (CID 102011452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).