(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal

C24H46O5Si — CID 89209582

IUPAC(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
SMILESC=C[C@H](OC)[C@@H](CC(C)(C)[Si](C)(C)O)/C(C)=C/[C@H](C)[C@@H](OC)[C@H](CC(C)C=O)OC
InChIInChI=1S/C24H46O5Si/c1-12-21(27-7)20(15-24(5,6)30(10,11)26)18(3)14-19(4)23(29-9)22(28-8)13-17(2)16-25/h12,14,16-17,19-23,26H,1,13,15H2,2-11H3/b18-14+/t17?,19-,20-,21-,22-,23+/m0/s1
InChIKeyFWEMTBZFDMSLBY-ZVVGVQRYSA-N
MW442.71 g/mol
LogP5.01
Rot. Bonds15

About (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal

(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal (PubChem CID 89209582) has the molecular formula C24H46O5Si and a molecular weight of 442.71 g/mol. Its IUPAC name is (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal.

Molecular Properties

Compound Name(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
PubChem CID89209582
Molecular FormulaC24H46O5Si
Molecular Weight442.71 g/mol
Exact Mass442.31
IUPAC Name(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
SMILESC=C[C@H](OC)[C@@H](CC(C)(C)[Si](C)(C)O)/C(C)=C/[C@H](C)[C@@H](OC)[C@H](CC(C)C=O)OC
InChIInChI=1S/C24H46O5Si/c1-12-21(27-7)20(15-24(5,6)30(10,11)26)18(3)14-19(4)23(29-9)22(28-8)13-17(2)16-25/h12,14,16-17,19-23,26H,1,13,15H2,2-11H3/b18-14+/t17?,19-,20-,21-,22-,23+/m0/s1
InChIKeyFWEMTBZFDMSLBY-ZVVGVQRYSA-N
XLogP5.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.71
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal?
The IUPAC name of (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal (CID 89209582) is (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal.
What is the SMILES notation for (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal?
The canonical SMILES for (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal is C=C[C@H](OC)[C@@H](CC(C)(C)[Si](C)(C)O)/C(C)=C/[C@H](C)[C@@H](OC)[C@H](CC(C)C=O)OC.
What is the InChIKey of (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal?
The InChIKey is FWEMTBZFDMSLBY-ZVVGVQRYSA-N. The full InChI is InChI=1S/C24H46O5Si/c1-12-21(27-7)20(15-24(5,6)30(10,11)26)18(3)14-19(4)23(29-9)22(28-8)13-17(2)16-25/h12,14,16-17,19-23,26H,1,13,15H2,2-11H3/b18-14+/t17?,19-,20-,21-,22-,23+/m0/s1.
What are the key properties of (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal?
(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal has a molecular weight of 442.71 g/mol, XLogP of 5.01, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal is sourced from PubChem (CID 89209582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).