[(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane

C20H34OSi — CID 159001598

IUPAC[(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane
SMILESC/C=C\CC(C)O[Si](C)(C)c1ccccc1.[2H]C(C)[C@H]1C[C@@H]1C
InChIInChI=1S/C14H22OSi.C6H12/c1-5-6-10-13(2)15-16(3,4)14-11-8-7-9-12-14;1-3-6-4-5(6)2/h5-9,11-13H,10H2,1-4H3;5-6H,3-4H2,1-2H3/b6-5-;/t;5-,6-/m.0/s1/i;3D/t;3?,5-,6-
InChIKeyJRKAVXADMLQNDN-MTGOELEHSA-N
MW319.58 g/mol
LogP5.52
Rot. Bonds6

About [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane

[(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane (PubChem CID 159001598) has the molecular formula C20H34OSi and a molecular weight of 319.58 g/mol. Its IUPAC name is [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane.

Molecular Properties

Compound Name[(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane
PubChem CID159001598
Molecular FormulaC20H34OSi
Molecular Weight319.58 g/mol
Exact Mass319.24
IUPAC Name[(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane
SMILESC/C=C\CC(C)O[Si](C)(C)c1ccccc1.[2H]C(C)[C@H]1C[C@@H]1C
InChIInChI=1S/C14H22OSi.C6H12/c1-5-6-10-13(2)15-16(3,4)14-11-8-7-9-12-14;1-3-6-4-5(6)2/h5-9,11-13H,10H2,1-4H3;5-6H,3-4H2,1-2H3/b6-5-;/t;5-,6-/m.0/s1/i;3D/t;3?,5-,6-
InChIKeyJRKAVXADMLQNDN-MTGOELEHSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 55.52
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane?
The IUPAC name of [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane (CID 159001598) is [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane.
What is the SMILES notation for [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane?
The canonical SMILES for [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane is C/C=C\CC(C)O[Si](C)(C)c1ccccc1.[2H]C(C)[C@H]1C[C@@H]1C.
What is the InChIKey of [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane?
The InChIKey is JRKAVXADMLQNDN-MTGOELEHSA-N. The full InChI is InChI=1S/C14H22OSi.C6H12/c1-5-6-10-13(2)15-16(3,4)14-11-8-7-9-12-14;1-3-6-4-5(6)2/h5-9,11-13H,10H2,1-4H3;5-6H,3-4H2,1-2H3/b6-5-;/t;5-,6-/m.0/s1/i;3D/t;3?,5-,6-.
What are the key properties of [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane?
[(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane has a molecular weight of 319.58 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-4-en-2-yl]oxy-dimethyl-phenylsilane;trans-(1S,2S)-1-(1-deuterioethyl)-2-methylcyclopropane is sourced from PubChem (CID 159001598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).