(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol

C18H36O6Si — CID 11111598

IUPAC(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O6Si/c1-11-13(19)15-14(12-22-25(9,10)16(2,3)4)23-17(5,20-7)18(6,21-8)24-15/h11,13-15,19H,1,12H2,2-10H3/t13-,14+,15-,17-,18-/m1/s1
InChIKeyTYUBWFQBGFGYNS-JAPOXJDPSA-N
MW376.57 g/mol
LogP3.06
Rot. Bonds7

About (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol

(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol (PubChem CID 11111598) has the molecular formula C18H36O6Si and a molecular weight of 376.57 g/mol. Its IUPAC name is (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
PubChem CID11111598
Molecular FormulaC18H36O6Si
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O6Si/c1-11-13(19)15-14(12-22-25(9,10)16(2,3)4)23-17(5,20-7)18(6,21-8)24-15/h11,13-15,19H,1,12H2,2-10H3/t13-,14+,15-,17-,18-/m1/s1
InChIKeyTYUBWFQBGFGYNS-JAPOXJDPSA-N
XLogP3.06
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol 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

(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 10970397
(2R)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 11024767
(E,1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-en-1-ol
CID 11100828
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxyhex-1-en-3-ol
CID 101564704
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901054
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3-trimethylsilylhex-1-en-3-ol
CID 134901055
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(1R)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 11047426
(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 101153651

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol (CID 11111598) is (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol?
The InChIKey is TYUBWFQBGFGYNS-JAPOXJDPSA-N. The full InChI is InChI=1S/C18H36O6Si/c1-11-13(19)15-14(12-22-25(9,10)16(2,3)4)23-17(5,20-7)18(6,21-8)24-15/h11,13-15,19H,1,12H2,2-10H3/t13-,14+,15-,17-,18-/m1/s1.
What are the key properties of (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol?
(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol has a molecular weight of 376.57 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).