(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde

C30H48O5Si — CID 24858141

IUPAC(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde
SMILESCOc1ccc(CO[C@H]2CC[C@@H](C=O)[C@]3(C)CC[C@@H](C=O)[C@](C)(CCO[Si](C)(C)C(C)(C)C)[C@@H]23)cc1
InChIInChI=1S/C30H48O5Si/c1-28(2,3)36(7,8)35-18-17-30(5)24(20-32)15-16-29(4)23(19-31)11-14-26(27(29)30)34-21-22-9-12-25(33-6)13-10-22/h9-10,12-13,19-20,23-24,26-27H,11,14-18,21H2,1-8H3/t23-,24-,26-,27-,29-,30-/m0/s1
InChIKeyCXIQSJREYRPSLR-OPQYXRLJSA-N
MW516.80 g/mol
LogP6.84
Rot. Bonds10

About (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde

(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde (PubChem CID 24858141) has the molecular formula C30H48O5Si and a molecular weight of 516.80 g/mol. Its IUPAC name is (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde.

Molecular Properties

Compound Name(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde
PubChem CID24858141
Molecular FormulaC30H48O5Si
Molecular Weight516.80 g/mol
Exact Mass516.33
IUPAC Name(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde
SMILESCOc1ccc(CO[C@H]2CC[C@@H](C=O)[C@]3(C)CC[C@@H](C=O)[C@](C)(CCO[Si](C)(C)C(C)(C)C)[C@@H]23)cc1
InChIInChI=1S/C30H48O5Si/c1-28(2,3)36(7,8)35-18-17-30(5)24(20-32)15-16-29(4)23(19-31)11-14-26(27(29)30)34-21-22-9-12-25(33-6)13-10-22/h9-10,12-13,19-20,23-24,26-27H,11,14-18,21H2,1-8H3/t23-,24-,26-,27-,29-,30-/m0/s1
InChIKeyCXIQSJREYRPSLR-OPQYXRLJSA-N
XLogP6.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.80
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde with MolForge

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Related Compounds

[(1R,2S,5R)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopentyl]methanol
CID 10789658
3-[(4-methoxyphenyl)methoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbaldehyde
CID 144634886
tert-butyl-[[(2S,3S,4R,5R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-iodo-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]methoxy]-dimethylsilane
CID 117071244
(1S,3aS,5S,7aR)-5-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-3a-hydroxy-7a-methyl-2,3,4,5,6,7-hexahydro-1H-indene-1-carbaldehyde
CID 11729118
2-[(2S,3R,4R,4aS,6R,7S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethyl-3-[(4-methoxyphenyl)methoxy]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 101048533
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-[(4-methoxyphenyl)methoxy]oxan-2-one
CID 101429250
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2-methylpent-2-enoic acid
CID 11349523
[(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(4-methoxyphenyl)methoxy]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
CID 24812879
(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
CID 53253787
tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
CID 134896322
(1R,2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutan-1-ol
CID 11233859
2-[(1S,4S,5S)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-5-[(4-methoxyphenyl)methoxy]-2-methylcyclopent-2-en-1-yl]acetaldehyde
CID 10939486

Frequently Asked Questions

What is the IUPAC name of (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde?
The IUPAC name of (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde (CID 24858141) is (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde.
What is the SMILES notation for (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde?
The canonical SMILES for (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde is COc1ccc(CO[C@H]2CC[C@@H](C=O)[C@]3(C)CC[C@@H](C=O)[C@](C)(CCO[Si](C)(C)C(C)(C)C)[C@@H]23)cc1.
What is the InChIKey of (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde?
The InChIKey is CXIQSJREYRPSLR-OPQYXRLJSA-N. The full InChI is InChI=1S/C30H48O5Si/c1-28(2,3)36(7,8)35-18-17-30(5)24(20-32)15-16-29(4)23(19-31)11-14-26(27(29)30)34-21-22-9-12-25(33-6)13-10-22/h9-10,12-13,19-20,23-24,26-27H,11,14-18,21H2,1-8H3/t23-,24-,26-,27-,29-,30-/m0/s1.
What are the key properties of (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde?
(1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde has a molecular weight of 516.80 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,4aS,5R,6R,8aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4-methoxyphenyl)methoxy]-5,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,6-dicarbaldehyde is sourced from PubChem (CID 24858141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).