5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde

C16H30O3Si — CID 134875330

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
SMILESCC1(C)CCC(O[Si](C)(C)C(C)(C)C)C2(C)OC12C=O
InChIInChI=1S/C16H30O3Si/c1-13(2,3)20(7,8)18-12-9-10-14(4,5)16(11-17)15(12,6)19-16/h11-12H,9-10H2,1-8H3
InChIKeyFRPXBVBTXNQVOO-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.92
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde

5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde (PubChem CID 134875330) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
PubChem CID134875330
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
SMILESCC1(C)CCC(O[Si](C)(C)C(C)(C)C)C2(C)OC12C=O
InChIInChI=1S/C16H30O3Si/c1-13(2,3)20(7,8)18-12-9-10-14(4,5)16(11-17)15(12,6)19-16/h11-12H,9-10H2,1-8H3
InChIKeyFRPXBVBTXNQVOO-UHFFFAOYSA-N
XLogP3.92
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde with MolForge

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Related Compounds

(1S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 11483396
2-[(1R,2R,6S)-5-oxo-2-triethylsilyloxy-7-oxabicyclo[4.1.0]heptan-2-yl]acetaldehyde
CID 146166842
(1R,2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carbaldehyde
CID 10590222
(1aR,3aS,5S,7aS,7bS)-5-[tert-butyl(dimethyl)silyl]oxy-1a,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxirene-7b-carbaldehyde
CID 11485418
(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 12080838
(1S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 12080839
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000
(1S,2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2-carbaldehyde
CID 72198439
2-[(1S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]acetaldehyde
CID 72697221
(1R,4S,6S)-2,2,6-trimethyl-4-tributylsilyloxy-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 101090691
(1R,4R,6S)-2,2,6-trimethyl-4-tributylsilyloxy-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 101090692
(1S,4S,6R)-2,2,6-trimethyl-4-tributylsilyloxy-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 101090693

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde (CID 134875330) is 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde is CC1(C)CCC(O[Si](C)(C)C(C)(C)C)C2(C)OC12C=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
The InChIKey is FRPXBVBTXNQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(2,3)20(7,8)18-12-9-10-14(4,5)16(11-17)15(12,6)19-16/h11-12H,9-10H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde has a molecular weight of 298.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde is sourced from PubChem (CID 134875330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).