(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal

C23H48O4Si2 — CID 11719238

IUPAC(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal
SMILESC=C[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=O)OC
InChIInChI=1S/C23H48O4Si2/c1-14-19(8)22(26-28(11,12)13)20(9)23(21(15-24)25-10)27-29(16(2)3,17(4)5)18(6)7/h14-23H,1H2,2-13H3/t19-,20+,21-,22-,23-/m0/s1
InChIKeyHBSWYNFTTKIKMH-SPHOGXRMSA-N
MW444.81 g/mol
LogP6.44
Rot. Bonds14

About (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal

(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal (PubChem CID 11719238) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal
PubChem CID11719238
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal
SMILESC=C[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=O)OC
InChIInChI=1S/C23H48O4Si2/c1-14-19(8)22(26-28(11,12)13)20(9)23(21(15-24)25-10)27-29(16(2)3,17(4)5)18(6)7/h14-23H,1H2,2-13H3/t19-,20+,21-,22-,23-/m0/s1
InChIKeyHBSWYNFTTKIKMH-SPHOGXRMSA-N
XLogP6.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 10599914
(3R,4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-3-methoxy-5-methyl-4-tri(propan-2-yl)silyloxyoxan-2-one
CID 102385689
(2R,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxyoct-7-enal
CID 135705252
(3S,4R,5R,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-3,5-dimethyl-6-triethylsilyloxynon-8-en-2-one
CID 177384754

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal?
The IUPAC name of (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal (CID 11719238) is (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal is C=C[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=O)OC.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal?
The InChIKey is HBSWYNFTTKIKMH-SPHOGXRMSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-14-19(8)22(26-28(11,12)13)20(9)23(21(15-24)25-10)27-29(16(2)3,17(4)5)18(6)7/h14-23H,1H2,2-13H3/t19-,20+,21-,22-,23-/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal?
(2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal has a molecular weight of 444.81 g/mol, XLogP of 6.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-5-trimethylsilyloxy-3-tri(propan-2-yl)silyloxyoct-7-enal is sourced from PubChem (CID 11719238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).