(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol

C38H56O4Si2 — CID 102271694

IUPAC(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol
SMILESC[C@H]1C[C@](O)(c2ccco2)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)C=C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C38H56O4Si2/c1-30-27-38(39,34-23-17-25-40-34)37(8,24-18-26-41-43(9,10)35(2,3)4)28-31(30)29-42-44(36(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-17,19-23,25,28,30,39H,18,24,26-27,29H2,1-10H3/t30-,37-,38-/m0/s1
InChIKeyZZXFDJQTZTZBHC-NWGFZFNUSA-N
MW633.03 g/mol
LogP8.82
Rot. Bonds11

About (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol

(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol (PubChem CID 102271694) has the molecular formula C38H56O4Si2 and a molecular weight of 633.03 g/mol. Its IUPAC name is (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol
PubChem CID102271694
Molecular FormulaC38H56O4Si2
Molecular Weight633.03 g/mol
Exact Mass632.37
IUPAC Name(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol
SMILESC[C@H]1C[C@](O)(c2ccco2)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)C=C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C38H56O4Si2/c1-30-27-38(39,34-23-17-25-40-34)37(8,24-18-26-41-43(9,10)35(2,3)4)28-31(30)29-42-44(36(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-17,19-23,25,28,30,39H,18,24,26-27,29H2,1-10H3/t30-,37-,38-/m0/s1
InChIKeyZZXFDJQTZTZBHC-NWGFZFNUSA-N
XLogP8.82
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.03
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol with MolForge

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Related Compounds

(3S,5S)-3-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 23726865
tert-butyl-[3-(furan-2-ylmethylsulfanyl)propoxy]-diphenylsilane
CID 24988907
tert-butyl-[6-[[(8S,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]methoxy]hex-4-ynoxy]-diphenylsilane
CID 101463337
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(2R,3S,4aR,6S,8S,8aR)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-3-ol
CID 10898064
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
4-[(4R,5R)-4,5-bis(ethenyl)-2-prop-2-enyl-1,3-dioxolan-2-yl]butoxy-tert-butyl-diphenylsilane
CID 101179874
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(3aR,6S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 24767460
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol?
The IUPAC name of (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol (CID 102271694) is (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol is C[C@H]1C[C@](O)(c2ccco2)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)C=C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol?
The InChIKey is ZZXFDJQTZTZBHC-NWGFZFNUSA-N. The full InChI is InChI=1S/C38H56O4Si2/c1-30-27-38(39,34-23-17-25-40-34)37(8,24-18-26-41-43(9,10)35(2,3)4)28-31(30)29-42-44(36(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-17,19-23,25,28,30,39H,18,24,26-27,29H2,1-10H3/t30-,37-,38-/m0/s1.
What are the key properties of (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol?
(1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol has a molecular weight of 633.03 g/mol, XLogP of 8.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(furan-2-yl)-2,5-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 102271694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).