2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol

C23H46O5Si — CID 135020680

IUPAC2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
SMILESCC#CC(C)C(O)C(C)C(CO[Si](C(C)C)(C(C)C)C(C)C)OCOCCOC
InChIInChI=1S/C23H46O5Si/c1-11-12-20(8)23(24)21(9)22(27-16-26-14-13-25-10)15-28-29(17(2)3,18(4)5)19(6)7/h17-24H,13-16H2,1-10H3
InChIKeyKIJHYFFKWCQQOZ-UHFFFAOYSA-N
MW430.70 g/mol
LogP4.84
Rot. Bonds15

About 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol

2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol (PubChem CID 135020680) has the molecular formula C23H46O5Si and a molecular weight of 430.70 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
PubChem CID135020680
Molecular FormulaC23H46O5Si
Molecular Weight430.70 g/mol
Exact Mass430.31
IUPAC Name2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
SMILESCC#CC(C)C(O)C(C)C(CO[Si](C(C)C)(C(C)C)C(C)C)OCOCCOC
InChIInChI=1S/C23H46O5Si/c1-11-12-20(8)23(24)21(9)22(27-16-26-14-13-25-10)15-28-29(17(2)3,18(4)5)19(6)7/h17-24H,13-16H2,1-10H3
InChIKeyKIJHYFFKWCQQOZ-UHFFFAOYSA-N
XLogP4.84
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 101369899
(2R,3S,4S,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 101369906
(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-yn-4-ol
CID 101395990
(2R,3R,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-4-methyl-6-trimethylsilylhex-5-yne-1,3-diol
CID 102143529
(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
CID 135016309
(2R,3S,4S,5R)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135020932
(2R,3S,4R,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135021052
(2R,3R,4R,5R)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135021053
(2R,3R,4S,5R)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135021054
(2R,3S,4R,5R)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135021055
(2R,3R,4S,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135021056
(4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-yn-4-ol
CID 139249822

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol (CID 135020680) is 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol is CC#CC(C)C(O)C(C)C(CO[Si](C(C)C)(C(C)C)C(C)C)OCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol?
The InChIKey is KIJHYFFKWCQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O5Si/c1-11-12-20(8)23(24)21(9)22(27-16-26-14-13-25-10)15-28-29(17(2)3,18(4)5)19(6)7/h17-24H,13-16H2,1-10H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol?
2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol has a molecular weight of 430.70 g/mol, XLogP of 4.84, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol is sourced from PubChem (CID 135020680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).