5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal

C19H34O4Si — CID 56605813

IUPAC5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal
SMILESCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(C)=CC=CC=O)OC[C@H]1C
InChIInChI=1S/C19H34O4Si/c1-14(11-9-10-12-20)17-18(16(21-6)15(2)13-22-17)23-24(7,8)19(3,4)5/h9-12,15-18H,13H2,1-8H3/t15-,16-,17-,18+/m1/s1
InChIKeyUIHASFNPQHQINV-TVFCKZIOSA-N
MW354.56 g/mol
LogP4.13
Rot. Bonds6

About 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal

5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal (PubChem CID 56605813) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal.

Molecular Properties

Compound Name5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal
PubChem CID56605813
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal
SMILESCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(C)=CC=CC=O)OC[C@H]1C
InChIInChI=1S/C19H34O4Si/c1-14(11-9-10-12-20)17-18(16(21-6)15(2)13-22-17)23-24(7,8)19(3,4)5/h9-12,15-18H,13H2,1-8H3/t15-,16-,17-,18+/m1/s1
InChIKeyUIHASFNPQHQINV-TVFCKZIOSA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.13
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 11794966
[(2R,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl]oxy-triethylsilane
CID 134887512
methyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6S)-6-[(2S,3S)-2-methoxy-3-methylpent-4-enyl]oxan-2-yl]-4-methylocta-2,4-dienoate
CID 135047713
(2E,4E)-6-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(Z)-2-methyl-3-oxoprop-1-enyl]oxan-2-yl]hexa-2,4-dienoic acid
CID 162397871
(E)-3-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]but-2-enal
CID 11809622
(E)-3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enal
CID 22848920
tert-butyl-[(2S,3R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848926
tert-butyl-[(2S,3R,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848928
3-[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]but-2-enal
CID 56631653
tert-butyl-[(2S,3R,5R)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57078524
tert-butyl-[(2S,3R,5S)-2-deca-2,4,6-trien-2-yl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57086607
3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enal
CID 57135470

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal?
The IUPAC name of 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal (CID 56605813) is 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal.
What is the SMILES notation for 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal?
The canonical SMILES for 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal is CO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(C)=CC=CC=O)OC[C@H]1C.
What is the InChIKey of 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal?
The InChIKey is UIHASFNPQHQINV-TVFCKZIOSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-14(11-9-10-12-20)17-18(16(21-6)15(2)13-22-17)23-24(7,8)19(3,4)5/h9-12,15-18H,13H2,1-8H3/t15-,16-,17-,18+/m1/s1.
What are the key properties of 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal?
5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal has a molecular weight of 354.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]hexa-2,4-dienal is sourced from PubChem (CID 56605813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).