(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde

C28H38O4Si — CID 11751686

IUPAC(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde
SMILESCOCO[C@@H](C=O)[C@]1(C)CC=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H38O4Si/c1-27(2,3)33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)32-21-23-14-12-13-19-28(23,4)26(20-29)31-22-30-5/h6-13,15-18,20,23,26H,14,19,21-22H2,1-5H3/t23-,26-,28+/m0/s1
InChIKeyVZNMNLSNGIJINV-PAUTXSKSSA-N
MW466.69 g/mol
LogP4.72
Rot. Bonds10

About (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde

(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde (PubChem CID 11751686) has the molecular formula C28H38O4Si and a molecular weight of 466.69 g/mol. Its IUPAC name is (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde
PubChem CID11751686
Molecular FormulaC28H38O4Si
Molecular Weight466.69 g/mol
Exact Mass466.25
IUPAC Name(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde
SMILESCOCO[C@@H](C=O)[C@]1(C)CC=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H38O4Si/c1-27(2,3)33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)32-21-23-14-12-13-19-28(23,4)26(20-29)31-22-30-5/h6-13,15-18,20,23,26H,14,19,21-22H2,1-5H3/t23-,26-,28+/m0/s1
InChIKeyVZNMNLSNGIJINV-PAUTXSKSSA-N
XLogP4.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.69
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
CID 11634036
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
[(1R,2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxymethyl)cyclopropyl]methanol
CID 177392831
(2R)-2-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-2-methoxyacetaldehyde
CID 164787145
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 140733360
(2S,3S)-N-benzyl-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-imine
CID 72793402
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde?
The IUPAC name of (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde (CID 11751686) is (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde.
What is the SMILES notation for (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde?
The canonical SMILES for (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde is COCO[C@@H](C=O)[C@]1(C)CC=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde?
The InChIKey is VZNMNLSNGIJINV-PAUTXSKSSA-N. The full InChI is InChI=1S/C28H38O4Si/c1-27(2,3)33(24-15-8-6-9-16-24,25-17-10-7-11-18-25)32-21-23-14-12-13-19-28(23,4)26(20-29)31-22-30-5/h6-13,15-18,20,23,26H,14,19,21-22H2,1-5H3/t23-,26-,28+/m0/s1.
What are the key properties of (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde?
(2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde has a molecular weight of 466.69 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methylcyclohex-3-en-1-yl]-2-(methoxymethoxy)acetaldehyde is sourced from PubChem (CID 11751686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).