(4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

C26H50O3Si2 — CID 11167238

IUPAC(4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C(C=O)=CCC[C@@H]12
InChIInChI=1S/C26H50O3Si2/c1-23(2,3)30(9,10)28-19-26(8)21-15-13-14-20(18-27)25(21,7)17-16-22(26)29-31(11,12)24(4,5)6/h14,18,21-22H,13,15-17,19H2,1-12H3/t21-,22+,25-,26+/m1/s1
InChIKeyQJHDOZLIYWBKNL-GETZNYBYSA-N
MW466.86 g/mol
LogP7.74
Rot. Bonds6

About (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

(4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde (PubChem CID 11167238) has the molecular formula C26H50O3Si2 and a molecular weight of 466.86 g/mol. Its IUPAC name is (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
PubChem CID11167238
Molecular FormulaC26H50O3Si2
Molecular Weight466.86 g/mol
Exact Mass466.33
IUPAC Name(4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C(C=O)=CCC[C@@H]12
InChIInChI=1S/C26H50O3Si2/c1-23(2,3)30(9,10)28-19-26(8)21-15-13-14-20(18-27)25(21,7)17-16-22(26)29-31(11,12)24(4,5)6/h14,18,21-22H,13,15-17,19H2,1-12H3/t21-,22+,25-,26+/m1/s1
InChIKeyQJHDOZLIYWBKNL-GETZNYBYSA-N
XLogP7.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.86
LogP ≤ 57.74
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'}

Analyze (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde with MolForge

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Related Compounds

(4aR,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11088150
(4aR,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde
CID 14019014
2-[(1S,4aS,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-yl]acetaldehyde
CID 16723993
(4aR,5R,6S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-3,4a,6-trimethyl-5-(3-methylbut-2-enyl)-1,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 53348336
(1S,2S,4aR,6R,7S,8S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
CID 71546757
(1S,2S,4aR,5E,12aS)-1,4a-dimethyl-10-methylidene-2-tri(propan-2-yl)silyloxy-1,2,3,4,8,9,12,12a-octahydrobenzo[10]annulene-7,11-dione
CID 102130935
2-((1S,4aR,6S,8aR)-6-((tert-butyldimethylsilyl)oxy)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)acetaldehyde
CID 127054598
(4S)-4-[2-[(1S,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]ethyl]-2,4-dimethylcyclohex-2-en-1-one
CID 134865395
(3S,4aR,6S,8aS)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
CID 134945193
(4bS,7S,8aR,10aS)-7-[tert-butyl(dimethyl)silyl]oxy-4b,8,8-trimethyl-2,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-3-one
CID 135019576
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-8,8-dimethyl-1,4a,4b,5,6,7,10,10a-octahydrophenanthren-4-one
CID 135045979
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-1,4a,4b,5,6,7,10,10a-octahydrophenanthren-4-one
CID 135046014

Frequently Asked Questions

What is the IUPAC name of (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?
The IUPAC name of (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde (CID 11167238) is (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?
The canonical SMILES for (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C(C=O)=CCC[C@@H]12.
What is the InChIKey of (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?
The InChIKey is QJHDOZLIYWBKNL-GETZNYBYSA-N. The full InChI is InChI=1S/C26H50O3Si2/c1-23(2,3)30(9,10)28-19-26(8)21-15-13-14-20(18-27)25(21,7)17-16-22(26)29-31(11,12)24(4,5)6/h14,18,21-22H,13,15-17,19H2,1-12H3/t21-,22+,25-,26+/m1/s1.
What are the key properties of (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde?
(4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde has a molecular weight of 466.86 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 11167238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).