[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane

C17H30OSi — CID 11300426

IUPAC[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane
SMILESC=C[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)C[Si](C)(C)C)O1
InChIInChI=1S/C17H30OSi/c1-7-16-9-8-10-17(18-16)12-14(2)11-15(3)13-19(4,5)6/h7-9,14,16-17H,1,3,10-13H2,2,4-6H3/t14-,16+,17-/m0/s1
InChIKeyKVAVPJVXFUDMKH-UAGQMJEPSA-N
MW278.51 g/mol
LogP5.20
Rot. Bonds7

About [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane

[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane (PubChem CID 11300426) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane.

Molecular Properties

Compound Name[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane
PubChem CID11300426
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane
SMILESC=C[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)C[Si](C)(C)C)O1
InChIInChI=1S/C17H30OSi/c1-7-16-9-8-10-17(18-16)12-14(2)11-15(3)13-19(4,5)6/h7-9,14,16-17H,1,3,10-13H2,2,4-6H3/t14-,16+,17-/m0/s1
InChIKeyKVAVPJVXFUDMKH-UAGQMJEPSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.20
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'}

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Related Compounds

trimethyl-[2-methylidene-5-[(2R,6R)-6-(3-trimethylsilylprop-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]pentyl]silane
CID 11653175
[(2S,5S)-5-cyclohexyl-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
CID 11736827
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
trimethyl-[(E)-[(2S,6S)-2-[(E)-prop-1-enyl]-6-propyloxan-4-ylidene]methyl]silane
CID 135041561
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868
[(3R)-3-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427869
[(3R)-2-butyl-3-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871
8-Methoxy-2-methyl-6-methylene-7-(trimethylsilyl)methyl-2-undecene
CID 101635055
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
CID 102245486

Frequently Asked Questions

What is the IUPAC name of [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane?
The IUPAC name of [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane (CID 11300426) is [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane.
What is the SMILES notation for [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane?
The canonical SMILES for [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane is C=C[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)C[Si](C)(C)C)O1.
What is the InChIKey of [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane?
The InChIKey is KVAVPJVXFUDMKH-UAGQMJEPSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-16-9-8-10-17(18-16)12-14(2)11-15(3)13-19(4,5)6/h7-9,14,16-17H,1,3,10-13H2,2,4-6H3/t14-,16+,17-/m0/s1.
What are the key properties of [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane?
[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane is sourced from PubChem (CID 11300426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).