(2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde

C15H26O2Si — CID 125497007

IUPAC(2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde
SMILESC[Si](C)(C)O[C@H](C=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O2Si/c1-18(2,3)17-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-14H,4-9H2,1-3H3/t11?,12?,13?,14-,15?/m1/s1
InChIKeyRDMAZOWOJMSLAY-WRHSUISWSA-N
MW266.46 g/mol
LogP3.62
Rot. Bonds4

About (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde

(2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde (PubChem CID 125497007) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde
PubChem CID125497007
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde
SMILESC[Si](C)(C)O[C@H](C=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O2Si/c1-18(2,3)17-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-14H,4-9H2,1-3H3/t11?,12?,13?,14-,15?/m1/s1
InChIKeyRDMAZOWOJMSLAY-WRHSUISWSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde?
The IUPAC name of (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde (CID 125497007) is (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde.
What is the SMILES notation for (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde?
The canonical SMILES for (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde is C[Si](C)(C)O[C@H](C=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde?
The InChIKey is RDMAZOWOJMSLAY-WRHSUISWSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-18(2,3)17-14(10-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-14H,4-9H2,1-3H3/t11?,12?,13?,14-,15?/m1/s1.
What are the key properties of (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde?
(2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde has a molecular weight of 266.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-adamantyl)-2-trimethylsilyloxyacetaldehyde is sourced from PubChem (CID 125497007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).