[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane

C18H34OSi — CID 135041468

IUPAC[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane
SMILESCCC[C@H]1C/C(=C\[Si](C)(C)C)C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C18H34OSi/c1-5-9-17-12-15(14-20(2,3)4)13-18(19-17)16-10-7-6-8-11-16/h14,16-18H,5-13H2,1-4H3/b15-14+/t17-,18-/m0/s1
InChIKeyCXKJEIHVXXEWDH-DNWQSSKHSA-N
MW294.56 g/mol
LogP5.72
Rot. Bonds4

About [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane

[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane (PubChem CID 135041468) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane
PubChem CID135041468
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane
SMILESCCC[C@H]1C/C(=C\[Si](C)(C)C)C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C18H34OSi/c1-5-9-17-12-15(14-20(2,3)4)13-18(19-17)16-10-7-6-8-11-16/h14,16-18H,5-13H2,1-4H3/b15-14+/t17-,18-/m0/s1
InChIKeyCXKJEIHVXXEWDH-DNWQSSKHSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane (CID 135041468) is [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane is CCC[C@H]1C/C(=C\[Si](C)(C)C)C[C@@H](C2CCCCC2)O1.
What is the InChIKey of [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane?
The InChIKey is CXKJEIHVXXEWDH-DNWQSSKHSA-N. The full InChI is InChI=1S/C18H34OSi/c1-5-9-17-12-15(14-20(2,3)4)13-18(19-17)16-10-7-6-8-11-16/h14,16-18H,5-13H2,1-4H3/b15-14+/t17-,18-/m0/s1.
What are the key properties of [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane?
[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 135041468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).