(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol

C18H36O4Si — CID 10970006

IUPAC(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol
SMILESC#C[C@H](OC)[C@H](O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)O
InChIInChI=1S/C18H36O4Si/c1-11-15(21-8)16(20)13(3)17(12(2)14(4)19)22-23(9,10)18(5,6)7/h1,12-17,19-20H,2-10H3/t12-,13-,14-,15+,16-,17+/m1/s1
InChIKeyZUCUANLUNFLKKP-IKIFYQGPSA-N
MW344.57 g/mol
LogP3.04
Rot. Bonds8

About (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol

(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol (PubChem CID 10970006) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol
PubChem CID10970006
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol
SMILESC#C[C@H](OC)[C@H](O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)O
InChIInChI=1S/C18H36O4Si/c1-11-15(21-8)16(20)13(3)17(12(2)14(4)19)22-23(9,10)18(5,6)7/h1,12-17,19-20H,2-10H3/t12-,13-,14-,15+,16-,17+/m1/s1
InChIKeyZUCUANLUNFLKKP-IKIFYQGPSA-N
XLogP3.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4R,5S,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8-trimethyldec-2-yn-5-ol
CID 25107660
(E,5R,6R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethylundec-3-en-1-yn-6-ol
CID 10904310
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(3S,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctane-1,3,8-triol
CID 90954656
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
(2S,3S,4S,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-5-yn-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
CID 101210684
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
CID 10595476
[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhex-5-yn-2-yl] benzoate
CID 11152252
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyldec-2-ene-1,5-diol
CID 11728066

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol?
The IUPAC name of (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol (CID 10970006) is (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol?
The canonical SMILES for (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol is C#C[C@H](OC)[C@H](O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol?
The InChIKey is ZUCUANLUNFLKKP-IKIFYQGPSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-11-15(21-8)16(20)13(3)17(12(2)14(4)19)22-23(9,10)18(5,6)7/h1,12-17,19-20H,2-10H3/t12-,13-,14-,15+,16-,17+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol?
(2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol has a molecular weight of 344.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethylnon-8-yne-2,6-diol is sourced from PubChem (CID 10970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).