4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde

C16H30O2Si — CID 135036631

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde
SMILESC=C1CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1C=O
InChIInChI=1S/C16H30O2Si/c1-12-9-13(10-16(5,6)14(12)11-17)18-19(7,8)15(2,3)4/h11,13-14H,1,9-10H2,2-8H3
InChIKeyNRIJBIKUYQWJAX-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde (PubChem CID 135036631) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde
PubChem CID135036631
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde
SMILESC=C1CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1C=O
InChIInChI=1S/C16H30O2Si/c1-12-9-13(10-16(5,6)14(12)11-17)18-19(7,8)15(2,3)4/h11,13-14H,1,9-10H2,2-8H3
InChIKeyNRIJBIKUYQWJAX-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde (CID 135036631) is 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde is C=C1CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1C=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde?
The InChIKey is NRIJBIKUYQWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-9-13(10-16(5,6)14(12)11-17)18-19(7,8)15(2,3)4/h11,13-14H,1,9-10H2,2-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde is sourced from PubChem (CID 135036631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).