(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C15H28O4Si — CID 101232088

IUPAC(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESC=CC[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H28O4Si/c1-7-8-10-12(16)13(11-9-17-14(10)18-11)19-20(5,6)15(2,3)4/h7,10-14,16H,1,8-9H2,2-6H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyTWULPWMMLWTWED-DHGKCCLASA-N
MW300.47 g/mol
LogP2.69
Rot. Bonds4

About (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 101232088) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID101232088
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESC=CC[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H28O4Si/c1-7-8-10-12(16)13(11-9-17-14(10)18-11)19-20(5,6)15(2,3)4/h7,10-14,16H,1,8-9H2,2-6H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyTWULPWMMLWTWED-DHGKCCLASA-N
XLogP2.69
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-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

(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
CID 15981858
(2R,3S,4R,5R,6R)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 135054268
(3R,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol
CID 58059609
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol
CID 68012873
7,7-Dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol
CID 88915103
(3S,5S,6R)-2-(hydroxymethyl)-5-methyl-6-oct-7-enoxyoxane-3,4-diol
CID 117943236
2-[[5-(Dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pent-4-en-1-ol
CID 123164227
4-Ethenyl-1-(hydroxymethyl)-5-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 123774712
(2S)-4-prop-1-en-2-yl-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 163601018
(2R)-3-[(2S,3R,5R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxybut-3-enyl]-5-methoxyoxolan-3-yl]-2-methylpropan-1-ol
CID 10883625
(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol
CID 10975018

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 101232088) is (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is C=CC[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is TWULPWMMLWTWED-DHGKCCLASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-8-10-12(16)13(11-9-17-14(10)18-11)19-20(5,6)15(2,3)4/h7,10-14,16H,1,8-9H2,2-6H3/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 300.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 101232088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).