[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane

C31H60O5Si2 — CID 11635504

IUPAC[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC=CCO[C@H]1C[C@H]2O[C@@H](C[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C)O[C@@H]1C(=C)C
InChIInChI=1S/C31H60O5Si2/c1-16-17-32-25-19-27-31(11,35-28(25)22(2)3)20-26(36-38(14,15)30(8,9)10)24(34-27)18-23(4)21-33-37(12,13)29(5,6)7/h16,23-28H,1-2,17-21H2,3-15H3/t23-,24+,25+,26-,27-,28-,31+/m1/s1
InChIKeyYVCDDQADMAFFTG-SMJXPTBRSA-N
MW568.99 g/mol
LogP8.28
Rot. Bonds11

About [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane

[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 11635504) has the molecular formula C31H60O5Si2 and a molecular weight of 568.99 g/mol. Its IUPAC name is [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
PubChem CID11635504
Molecular FormulaC31H60O5Si2
Molecular Weight568.99 g/mol
Exact Mass568.40
IUPAC Name[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC=CCO[C@H]1C[C@H]2O[C@@H](C[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C)O[C@@H]1C(=C)C
InChIInChI=1S/C31H60O5Si2/c1-16-17-32-25-19-27-31(11,35-28(25)22(2)3)20-26(36-38(14,15)30(8,9)10)24(34-27)18-23(4)21-33-37(12,13)29(5,6)7/h16,23-28H,1-2,17-21H2,3-15H3/t23-,24+,25+,26-,27-,28-,31+/m1/s1
InChIKeyYVCDDQADMAFFTG-SMJXPTBRSA-N
XLogP8.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.99
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 175776548
[(2R,3S,4aR,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methanol
CID 102161865
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 101451500
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 87652053
(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol
CID 51040136
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
CID 57385207
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane (CID 11635504) is [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane is C=CCO[C@H]1C[C@H]2O[C@@H](C[C@@H](C)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C)O[C@@H]1C(=C)C.
What is the InChIKey of [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is YVCDDQADMAFFTG-SMJXPTBRSA-N. The full InChI is InChI=1S/C31H60O5Si2/c1-16-17-32-25-19-27-31(11,35-28(25)22(2)3)20-26(36-38(14,15)30(8,9)10)24(34-27)18-23(4)21-33-37(12,13)29(5,6)7/h16,23-28H,1-2,17-21H2,3-15H3/t23-,24+,25+,26-,27-,28-,31+/m1/s1.
What are the key properties of [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
[(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 568.99 g/mol, XLogP of 8.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[(2S,3R,4aS,6R,7S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-7-prop-2-enoxy-6-prop-1-en-2-yl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11635504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).