2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol

C36H74O6Si3 — CID 11490914

IUPAC2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol
SMILESC=C(C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CCO)O2)O1)[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C36H74O6Si3/c1-13-43(14-2,15-3)38-28-31(11)30(10)24-33-26-35(12,42-45(19-7,20-8)21-9)29-36(40-33)27-34(25-32(39-36)22-23-37)41-44(16-4,17-5)18-6/h31-34,37H,10,13-29H2,1-9,11-12H3/t31-,32-,33-,34-,35-,36+/m0/s1
InChIKeyJHZWBQNOVAIKOA-JVYXSLHOSA-N
MW687.24 g/mol
LogP10.20
Rot. Bonds21

About 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol

2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol (PubChem CID 11490914) has the molecular formula C36H74O6Si3 and a molecular weight of 687.24 g/mol. Its IUPAC name is 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol
PubChem CID11490914
Molecular FormulaC36H74O6Si3
Molecular Weight687.24 g/mol
Exact Mass686.48
IUPAC Name2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol
SMILESC=C(C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CCO)O2)O1)[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C36H74O6Si3/c1-13-43(14-2,15-3)38-28-31(11)30(10)24-33-26-35(12,42-45(19-7,20-8)21-9)29-36(40-33)27-34(25-32(39-36)22-23-37)41-44(16-4,17-5)18-6/h31-34,37H,10,13-29H2,1-9,11-12H3/t31-,32-,33-,34-,35-,36+/m0/s1
InChIKeyJHZWBQNOVAIKOA-JVYXSLHOSA-N
XLogP10.20
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.24
LogP ≤ 510.20
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 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol with MolForge

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Related Compounds

(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-8-(2-hydroxyethyl)-4-methyl-2-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10529933
2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetic acid
CID 10952304
2-[(2S,4S,6R,8S,10S)-10-acetyloxy-2-[(3R,4S)-4-acetyloxy-7-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formyl-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethyl-2-methylidene-6-oxoheptyl]-4-methyl-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethyl 2-methoxyacetate
CID 100977093
prop-2-enyl 2-[(2S,4S,6S,8R,10S)-10-acetyloxy-2-[(3R,4S,5S)-4-acetyloxy-7-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-[(2R,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(2R,3S,4R,5R,6R)-6-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]-5-hydroxy-3-methyl-4-triethylsilyloxyoxan-2-yl]-triethylsilyloxymethyl]-6-methoxy-3-methyloxan-2-yl]pent-1-enyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethyl-2-methylidene-6-oxoheptyl]-4-methyl-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 11378429
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
prop-2-enyl 2-[(2S,4S,6S,8R,10S)-10-acetyloxy-2-[(3R,4S,5S)-4-acetyloxy-7-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-5-[(2R,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(S)-[(2R,3R,4R,5R,6R)-6-[(4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-7-chloro-2-methylideneocta-5,7-dienyl]-4,5-bis[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]-[(4-methoxyphenyl)methoxy]methyl]-6-methoxy-3-methyloxan-2-yl]pent-1-enyl]-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethyl-2-methylidene-6-oxoheptyl]-4-methyl-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 11701022
(2S,4S,6R,15S)-15-[(3R)-4-hydroxy-3-methyl-2-methylidenebutyl]-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-5,16-dioxa-9,13-dithiadispiro[5.1.58.36]hexadecan-2-ol
CID 11284097
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
2-[(4R,6R,8R,10S,13R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-13-triethylsilyloxy-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]ethanol
CID 11663915
[(2S,4S,6R,8S,10S)-2-[(3R,4S,5S)-4-acetyloxy-7-[(2R,4S,6S,8S,10S)-4-hydroxy-10-methoxy-2-[(4-methoxyphenyl)methoxymethoxy]-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethyl-2-methylidene-6-oxoheptyl]-4-hydroxy-8-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate
CID 101095995
triethyl-[(3S)-3-methylcyclohexyl]oxysilane
CID 142748817
triethyl-[[(4R,6R,8R,10S,13R)-10-(5-iodo-2-methylidenepentyl)-13-methyl-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 24850935

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol?
The IUPAC name of 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol (CID 11490914) is 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol.
What is the SMILES notation for 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol?
The canonical SMILES for 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol is C=C(C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CCO)O2)O1)[C@@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol?
The InChIKey is JHZWBQNOVAIKOA-JVYXSLHOSA-N. The full InChI is InChI=1S/C36H74O6Si3/c1-13-43(14-2,15-3)38-28-31(11)30(10)24-33-26-35(12,42-45(19-7,20-8)21-9)29-36(40-33)27-34(25-32(39-36)22-23-37)41-44(16-4,17-5)18-6/h31-34,37H,10,13-29H2,1-9,11-12H3/t31-,32-,33-,34-,35-,36+/m0/s1.
What are the key properties of 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol?
2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol has a molecular weight of 687.24 g/mol, XLogP of 10.20, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6R,8S,10S)-4-methyl-2-[(3R)-3-methyl-2-methylidene-4-triethylsilyloxybutyl]-4,10-bis(triethylsilyloxy)-1,7-dioxaspiro[5.5]undecan-8-yl]ethanol is sourced from PubChem (CID 11490914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).