4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal

C16H32O2Si — CID 22009912

IUPAC4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCC=O)CC1
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-15-11-9-14(10-12-15)8-6-7-13-17/h13-15H,6-12H2,1-5H3
InChIKeyRPGHZIXNTXWOGH-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.94
Rot. Bonds6

About 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal

4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal (PubChem CID 22009912) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal.

Molecular Properties

Compound Name4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal
PubChem CID22009912
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CCCC=O)CC1
InChIInChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-15-11-9-14(10-12-15)8-6-7-13-17/h13-15H,6-12H2,1-5H3
InChIKeyRPGHZIXNTXWOGH-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal?
The IUPAC name of 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal (CID 22009912) is 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal.
What is the SMILES notation for 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal?
The canonical SMILES for 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal is CC(C)(C)[Si](C)(C)OC1CCC(CCCC=O)CC1.
What is the InChIKey of 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal?
The InChIKey is RPGHZIXNTXWOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-16(2,3)19(4,5)18-15-11-9-14(10-12-15)8-6-7-13-17/h13-15H,6-12H2,1-5H3.
What are the key properties of 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal?
4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal has a molecular weight of 284.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]butanal is sourced from PubChem (CID 22009912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).