(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal

C15H32O2Si — CID 87228638

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal
SMILESCCCCC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3/t14-/m1/s1
InChIKeyCDQQGVJVKBVZNO-CQSZACIVSA-N
MW272.50 g/mol
LogP4.94
Rot. Bonds9

About (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal

(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal (PubChem CID 87228638) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal
PubChem CID87228638
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal
SMILESCCCCC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3/t14-/m1/s1
InChIKeyCDQQGVJVKBVZNO-CQSZACIVSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
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 (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal (CID 87228638) is (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal is CCCCC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal?
The InChIKey is CDQQGVJVKBVZNO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3/t14-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal?
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal has a molecular weight of 272.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal is sourced from PubChem (CID 87228638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).