[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane

C19H40O5Si — CID 56946984

IUPAC[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H](C[C@H](C[C@@H](C)OCOC)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C19H40O5Si/c1-10-11-17(23-15-21-7)13-18(12-16(2)22-14-20-6)24-25(8,9)19(3,4)5/h10,16-18H,1,11-15H2,2-9H3/t16-,17+,18+/m1/s1
InChIKeyYQBVTKFFGXWKMA-SQNIBIBYSA-N
MW376.61 g/mol
LogP4.73
Rot. Bonds14

About [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 56946984) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID56946984
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H](C[C@H](C[C@@H](C)OCOC)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C19H40O5Si/c1-10-11-17(23-15-21-7)13-18(12-16(2)22-14-20-6)24-25(8,9)19(3,4)5/h10,16-18H,1,11-15H2,2-9H3/t16-,17+,18+/m1/s1
InChIKeyYQBVTKFFGXWKMA-SQNIBIBYSA-N
XLogP4.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2-methyloctane-1,3-diol
CID 53235979
[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 132582442
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
ethyl (E)-4-[(2S,4S,6S)-6-[(E,4S,6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-4,8-bis(methoxymethoxy)non-1-enyl]-2-methyl-1,3-dioxan-4-yl]-3-methylbut-2-enoate
CID 56946978
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
CID 56946981
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane (CID 56946984) is [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H](C[C@H](C[C@@H](C)OCOC)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YQBVTKFFGXWKMA-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-10-11-17(23-15-21-7)13-18(12-16(2)22-14-20-6)24-25(8,9)19(3,4)5/h10,16-18H,1,11-15H2,2-9H3/t16-,17+,18+/m1/s1.
What are the key properties of [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane?
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 376.61 g/mol, XLogP of 4.73, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 56946984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).