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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Related Compounds

1-[4-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-one
CID 72985924
2-((1S,4aR,6S,8aR)-6-((tert-butyldimethylsilyl)oxy)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)acetaldehyde
CID 127054598
1-[4-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]buta-2,3-dien-1-one
CID 134864919
2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde
CID 164676102
1-Allyl-4-(tert-butyl-dimethyl-silanyloxy)-cyclohexanecarbaldehyde
CID 86643029
4-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-one
CID 10881892
2-[(1S,3R)-2-methylidene-3-tri(propan-2-yl)silyloxycyclohexyl]acetaldehyde
CID 11162698
2-[(1S,3R,5R)-5-methyl-2-methylidene-3-tri(propan-2-yl)silyloxycyclohexyl]acetaldehyde
CID 11198127
2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde
CID 11323951
1-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-one
CID 11500719
2-[(1S,4S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-4-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetaldehyde
CID 12187316
(1S,2S,4aS,5R,8aR)-2-[(E)-but-2-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
CID 23254070

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).