[(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane

C17H30O2Si — CID 132849467

IUPAC[(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane
SMILESC=C[C@H](OC1CCCCC1)O[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-6-17(19-16-12-8-7-9-13-16)18-15(2)11-10-14-20(3,4)5/h6,15-17H,1,7-9,11-13H2,2-5H3/t15-,17+/m1/s1
InChIKeyRGAKIWVZAKXDAJ-WBVHZDCISA-N
MW294.51 g/mol
LogP4.52
Rot. Bonds6

About [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane

[(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane (PubChem CID 132849467) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane
PubChem CID132849467
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name[(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane
SMILESC=C[C@H](OC1CCCCC1)O[C@H](C)CC#C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-6-17(19-16-12-8-7-9-13-16)18-15(2)11-10-14-20(3,4)5/h6,15-17H,1,7-9,11-13H2,2-5H3/t15-,17+/m1/s1
InChIKeyRGAKIWVZAKXDAJ-WBVHZDCISA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane?
The IUPAC name of [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane (CID 132849467) is [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane is C=C[C@H](OC1CCCCC1)O[C@H](C)CC#C[Si](C)(C)C.
What is the InChIKey of [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane?
The InChIKey is RGAKIWVZAKXDAJ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H30O2Si/c1-6-17(19-16-12-8-7-9-13-16)18-15(2)11-10-14-20(3,4)5/h6,15-17H,1,7-9,11-13H2,2-5H3/t15-,17+/m1/s1.
What are the key properties of [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane?
[(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane has a molecular weight of 294.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[(1S)-1-cyclohexyloxyprop-2-enoxy]pent-1-ynyl]-trimethylsilane is sourced from PubChem (CID 132849467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).