(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal

C15H30O2Si2 — CID 88892237

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC#C[Si](C)(C)C)CC=O
InChIInChI=1S/C15H30O2Si2/c1-15(2,3)19(7,8)17-14(11-12-16)10-9-13-18(4,5)6/h12,14H,10-11H2,1-8H3/t14-/m1/s1
InChIKeyXWAURZWBMQZFNH-CQSZACIVSA-N
MW298.57 g/mol
LogP4.24
Rot. Bonds5

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal (PubChem CID 88892237) has the molecular formula C15H30O2Si2 and a molecular weight of 298.57 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal
PubChem CID88892237
Molecular FormulaC15H30O2Si2
Molecular Weight298.57 g/mol
Exact Mass298.18
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC#C[Si](C)(C)C)CC=O
InChIInChI=1S/C15H30O2Si2/c1-15(2,3)19(7,8)17-14(11-12-16)10-9-13-18(4,5)6/h12,14H,10-11H2,1-8H3/t14-/m1/s1
InChIKeyXWAURZWBMQZFNH-CQSZACIVSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.24
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal (CID 88892237) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal is CC(C)(C)[Si](C)(C)O[C@H](CC#C[Si](C)(C)C)CC=O.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal?
The InChIKey is XWAURZWBMQZFNH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30O2Si2/c1-15(2,3)19(7,8)17-14(11-12-16)10-9-13-18(4,5)6/h12,14H,10-11H2,1-8H3/t14-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal has a molecular weight of 298.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynal is sourced from PubChem (CID 88892237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).