4-tricyclohexylstannyloxybenzaldehyde

C25H38O2Sn — CID 139239197

IUPAC4-tricyclohexylstannyloxybenzaldehyde
SMILESO=Cc1ccc(O[Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C7H6O2.3C6H11.Sn/c8-5-6-1-3-7(9)4-2-6;3*1-2-4-6-5-3-1;/h1-5,9H;3*1H,2-6H2;/q;;;;+1/p-1
InChIKeyIUSXVLNZVYOPJV-UHFFFAOYSA-M
MW489.29 g/mol
LogP7.83
Rot. Bonds6

About 4-tricyclohexylstannyloxybenzaldehyde

4-tricyclohexylstannyloxybenzaldehyde (PubChem CID 139239197) has the molecular formula C25H38O2Sn and a molecular weight of 489.29 g/mol. Its IUPAC name is 4-tricyclohexylstannyloxybenzaldehyde.

Molecular Properties

Compound Name4-tricyclohexylstannyloxybenzaldehyde
PubChem CID139239197
Molecular FormulaC25H38O2Sn
Molecular Weight489.29 g/mol
Exact Mass490.19
IUPAC Name4-tricyclohexylstannyloxybenzaldehyde
SMILESO=Cc1ccc(O[Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C7H6O2.3C6H11.Sn/c8-5-6-1-3-7(9)4-2-6;3*1-2-4-6-5-3-1;/h1-5,9H;3*1H,2-6H2;/q;;;;+1/p-1
InChIKeyIUSXVLNZVYOPJV-UHFFFAOYSA-M
XLogP7.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.29
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyloxybenzaldehyde
CID 3152724
4-cyclopropyloxybenzaldehyde
CID 71423039
4-cycloheptylbenzaldehyde
CID 21484445
4-cyclooctylbenzaldehyde
CID 12923818
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
cyclohexanecarboxylic acid;4-phenylbenzaldehyde
CID 160797265
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde
CID 23291608
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482

Frequently Asked Questions

What is the IUPAC name of 4-tricyclohexylstannyloxybenzaldehyde?
The IUPAC name of 4-tricyclohexylstannyloxybenzaldehyde (CID 139239197) is 4-tricyclohexylstannyloxybenzaldehyde.
What is the SMILES notation for 4-tricyclohexylstannyloxybenzaldehyde?
The canonical SMILES for 4-tricyclohexylstannyloxybenzaldehyde is O=Cc1ccc(O[Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 4-tricyclohexylstannyloxybenzaldehyde?
The InChIKey is IUSXVLNZVYOPJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.3C6H11.Sn/c8-5-6-1-3-7(9)4-2-6;3*1-2-4-6-5-3-1;/h1-5,9H;3*1H,2-6H2;/q;;;;+1/p-1.
What are the key properties of 4-tricyclohexylstannyloxybenzaldehyde?
4-tricyclohexylstannyloxybenzaldehyde has a molecular weight of 489.29 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tricyclohexylstannyloxybenzaldehyde is sourced from PubChem (CID 139239197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).