[(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane

C19H36OSi — CID 101224155

IUPAC[(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane
SMILESC=C[C@H]1C/C(=C/[Si](C)(C)C)C[C@@H](CCCCCCCC)O1
InChIInChI=1S/C19H36OSi/c1-6-8-9-10-11-12-13-19-15-17(16-21(3,4)5)14-18(7-2)20-19/h7,16,18-19H,2,6,8-15H2,1,3-5H3/b17-16-/t18-,19+/m0/s1
InChIKeyUARDYSIHTBRNBP-XPLNBWKOSA-N
MW308.58 g/mol
LogP6.27
Rot. Bonds9

About [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane

[(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane (PubChem CID 101224155) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane
PubChem CID101224155
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane
SMILESC=C[C@H]1C/C(=C/[Si](C)(C)C)C[C@@H](CCCCCCCC)O1
InChIInChI=1S/C19H36OSi/c1-6-8-9-10-11-12-13-19-15-17(16-21(3,4)5)14-18(7-2)20-19/h7,16,18-19H,2,6,8-15H2,1,3-5H3/b17-16-/t18-,19+/m0/s1
InChIKeyUARDYSIHTBRNBP-XPLNBWKOSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 11515310
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
[(E)-2-(5-dodecyloxolan-2-yl)ethenyl]-triethylsilane
CID 101544371
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
CID 135022785
[(Z)-[(2R,6R)-2-[(Z)-2-iodoethenyl]-6-propyloxan-4-ylidene]methyl]-trimethylsilane
CID 135041534
trimethyl-[(E)-[(2S,6S)-2-[(E)-prop-1-enyl]-6-propyloxan-4-ylidene]methyl]silane
CID 135041561
4-Cyclohexyloxyhexa-1,5-dienyl-dimethyl-propan-2-ylsilane
CID 70292486
Ethenyl-methyl-(2-prop-1-en-2-yloxan-2-yl)silane
CID 174672566
trimethyl-[(E)-2-[(2R)-oxan-2-yl]but-1-enyl]silane
CID 10036125
trimethyl-[(1E)-2-[(2R)-oxan-2-yl]penta-1,4-dienyl]silane
CID 10376355

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane (CID 101224155) is [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane is C=C[C@H]1C/C(=C/[Si](C)(C)C)C[C@@H](CCCCCCCC)O1.
What is the InChIKey of [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane?
The InChIKey is UARDYSIHTBRNBP-XPLNBWKOSA-N. The full InChI is InChI=1S/C19H36OSi/c1-6-8-9-10-11-12-13-19-15-17(16-21(3,4)5)14-18(7-2)20-19/h7,16,18-19H,2,6,8-15H2,1,3-5H3/b17-16-/t18-,19+/m0/s1.
What are the key properties of [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane?
[(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R,6R)-2-ethenyl-6-octyloxan-4-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 101224155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).