2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde

C18H32O2Si — CID 74421800

IUPAC2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde
SMILESC=C1CC2(CO[Si](C)(C)C(C)(C)C)CCC1CC2CC=O
InChIInChI=1S/C18H32O2Si/c1-14-12-18(13-20-21(5,6)17(2,3)4)9-7-15(14)11-16(18)8-10-19/h10,15-16H,1,7-9,11-13H2,2-6H3
InChIKeyQBEPTCUIONLDBP-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.96
Rot. Bonds5

About 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde

2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde (PubChem CID 74421800) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde
PubChem CID74421800
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde
SMILESC=C1CC2(CO[Si](C)(C)C(C)(C)C)CCC1CC2CC=O
InChIInChI=1S/C18H32O2Si/c1-14-12-18(13-20-21(5,6)17(2,3)4)9-7-15(14)11-16(18)8-10-19/h10,15-16H,1,7-9,11-13H2,2-6H3
InChIKeyQBEPTCUIONLDBP-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.96
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

2-((1S,4aR,6S,8aR)-6-((tert-butyldimethylsilyl)oxy)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)acetaldehyde
CID 127054598
(1aS,1bR,3aR,4R,7aR,7bR,9aR)-9a-[tert-butyl(dimethyl)silyl]oxy-1a,3a,7b-trimethyl-5-methylidene-1,1b,2,3,4,6,7,7a,8,9-decahydrocyclopropa[a]phenanthrene-4-carbaldehyde
CID 11069764
(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one
CID 71608620
(1R,2S,6S,7R,10S,14S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,12-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.02,7]hexadecan-13-one
CID 102309219
(1R,3aS,5aR,5bR,8R,9S,11aR)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-5a,5b,8,9,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
CID 89369580
(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
CID 142416102
(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-oxopropyl)-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 142416103
(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-1-en-2-yl-1-prop-2-enylcyclohexane-1-carbaldehyde
CID 142416104
(4R,5S,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
CID 173873474
(5S,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
CID 173873480
(1S,3S,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 11088582
2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde
CID 11323951

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde?
The IUPAC name of 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde (CID 74421800) is 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde.
What is the SMILES notation for 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde?
The canonical SMILES for 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde is C=C1CC2(CO[Si](C)(C)C(C)(C)C)CCC1CC2CC=O.
What is the InChIKey of 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde?
The InChIKey is QBEPTCUIONLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-14-12-18(13-20-21(5,6)17(2,3)4)9-7-15(14)11-16(18)8-10-19/h10,15-16H,1,7-9,11-13H2,2-6H3.
What are the key properties of 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde?
2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde has a molecular weight of 308.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde is sourced from PubChem (CID 74421800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).