2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde

C19H26OSi — CID 11011978

IUPAC2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde
SMILESC[Si](C)(C=C=C[C@@H]1CCCC[C@H]1CC=O)c1ccccc1
InChIInChI=1S/C19H26OSi/c1-21(2,19-12-4-3-5-13-19)16-8-11-17-9-6-7-10-18(17)14-15-20/h3-5,11-13,15-18H,6-7,9-10,14H2,1-2H3/t8?,17-,18-/m0/s1
InChIKeyZJEJEJZFFDMPSO-LCJICXEISA-N
MW298.50 g/mol
LogP4.25
Rot. Bonds5

About 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde

2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde (PubChem CID 11011978) has the molecular formula C19H26OSi and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde
PubChem CID11011978
Molecular FormulaC19H26OSi
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde
SMILESC[Si](C)(C=C=C[C@@H]1CCCC[C@H]1CC=O)c1ccccc1
InChIInChI=1S/C19H26OSi/c1-21(2,19-12-4-3-5-13-19)16-8-11-17-9-6-7-10-18(17)14-15-20/h3-5,11-13,15-18H,6-7,9-10,14H2,1-2H3/t8?,17-,18-/m0/s1
InChIKeyZJEJEJZFFDMPSO-LCJICXEISA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde?
The IUPAC name of 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde (CID 11011978) is 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde is C[Si](C)(C=C=C[C@@H]1CCCC[C@H]1CC=O)c1ccccc1.
What is the InChIKey of 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde?
The InChIKey is ZJEJEJZFFDMPSO-LCJICXEISA-N. The full InChI is InChI=1S/C19H26OSi/c1-21(2,19-12-4-3-5-13-19)16-8-11-17-9-6-7-10-18(17)14-15-20/h3-5,11-13,15-18H,6-7,9-10,14H2,1-2H3/t8?,17-,18-/m0/s1.
What are the key properties of 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde?
2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde has a molecular weight of 298.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-[3-[dimethyl(phenyl)silyl]propa-1,2-dienyl]cyclohexyl]acetaldehyde is sourced from PubChem (CID 11011978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).