[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

C22H42O5Si — CID 132582442

IUPAC[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CC[C@H](CC(=O)O[C@H](C)CCC[C@H](C=C)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O5Si/c1-10-13-20(27-28(8,9)22(4,5)6)16-21(23)26-18(3)14-12-15-19(11-2)25-17-24-7/h10-11,18-20H,1-2,12-17H2,3-9H3/t18-,19+,20-/m1/s1
InChIKeyBACXGFUAHJNQBJ-HSALFYBXSA-N
MW414.66 g/mol
LogP5.62
Rot. Bonds15

About [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (PubChem CID 132582442) has the molecular formula C22H42O5Si and a molecular weight of 414.66 g/mol. Its IUPAC name is [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Name[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
PubChem CID132582442
Molecular FormulaC22H42O5Si
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC Name[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CC[C@H](CC(=O)O[C@H](C)CCC[C@H](C=C)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O5Si/c1-10-13-20(27-28(8,9)22(4,5)6)16-21(23)26-18(3)14-12-15-19(11-2)25-17-24-7/h10-11,18-20H,1-2,12-17H2,3-9H3/t18-,19+,20-/m1/s1
InChIKeyBACXGFUAHJNQBJ-HSALFYBXSA-N
XLogP5.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 55.62
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'}

Analyze [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate with MolForge

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Related Compounds

[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-hydroxyhex-5-enoate
CID 44556691
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
CID 56946981
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
ethyl (E,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123856196

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The IUPAC name of [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (CID 132582442) is [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The canonical SMILES for [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is C=CC[C@H](CC(=O)O[C@H](C)CCC[C@H](C=C)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The InChIKey is BACXGFUAHJNQBJ-HSALFYBXSA-N. The full InChI is InChI=1S/C22H42O5Si/c1-10-13-20(27-28(8,9)22(4,5)6)16-21(23)26-18(3)14-12-15-19(11-2)25-17-24-7/h10-11,18-20H,1-2,12-17H2,3-9H3/t18-,19+,20-/m1/s1.
What are the key properties of [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
[(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate has a molecular weight of 414.66 g/mol, XLogP of 5.62, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-(methoxymethoxy)oct-7-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 132582442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).