triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane

C18H36O2Si — CID 10615050

IUPACtriethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane
SMILESC/C=C(\CC)O[C@@H](/C=C\CCC)CO[Si](CC)(CC)CC
InChIInChI=1S/C18H36O2Si/c1-7-13-14-15-18(20-17(8-2)9-3)16-19-21(10-4,11-5)12-6/h8,14-15,18H,7,9-13,16H2,1-6H3/b15-14-,17-8+/t18-/m0/s1
InChIKeyDUCKPQYVDICKFY-CQHUXHEASA-N
MW312.57 g/mol
LogP6.06
Rot. Bonds12

About triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane

triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane (PubChem CID 10615050) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane
PubChem CID10615050
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametriethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane
SMILESC/C=C(\CC)O[C@@H](/C=C\CCC)CO[Si](CC)(CC)CC
InChIInChI=1S/C18H36O2Si/c1-7-13-14-15-18(20-17(8-2)9-3)16-19-21(10-4,11-5)12-6/h8,14-15,18H,7,9-13,16H2,1-6H3/b15-14-,17-8+/t18-/m0/s1
InChIKeyDUCKPQYVDICKFY-CQHUXHEASA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
CID 25224044
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
(2r,5s)-(z)-2-Methoxy-5-(triisopropylsilyloxy)hex-3-ene
CID 129826301
(2s,5s)-(z)-2-Methoxy-5-(triisopropylsilyloxy)hex-3-ene
CID 129826316
tert-butyl-[(1S)-1-(3-methoxy-2,5-dihydrofuran-2-yl)ethoxy]-dimethylsilane
CID 134836061
[(2R,3R)-2-ethenyl-3,6-dihydro-2H-pyran-3-yl]oxy-tris(trimethylsilyl)silane
CID 134850817
[(1R)-1-[(2R)-2,5-dihydrofuran-2-yl]prop-2-enoxy]-tris(trimethylsilyl)silane
CID 134850818
tri(propan-2-yl)-[(2,3,5-trimethyl-2H-furan-5-yl)methoxy]silane
CID 134928352

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane?
The IUPAC name of triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane (CID 10615050) is triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane.
What is the SMILES notation for triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane?
The canonical SMILES for triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane is C/C=C(\CC)O[C@@H](/C=C\CCC)CO[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane?
The InChIKey is DUCKPQYVDICKFY-CQHUXHEASA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-13-14-15-18(20-17(8-2)9-3)16-19-21(10-4,11-5)12-6/h8,14-15,18H,7,9-13,16H2,1-6H3/b15-14-,17-8+/t18-/m0/s1.
What are the key properties of triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane?
triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane has a molecular weight of 312.57 g/mol, XLogP of 6.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z,2S)-2-[(E)-pent-2-en-3-yl]oxyhept-3-enoxy]silane is sourced from PubChem (CID 10615050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).