(2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal

C30H54FNO3SSi2 — CID 71517142

IUPAC(2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal
SMILESC/C(=C/C[C@H](O[Si](O[Si](F)(C(C)C)C(C)C)(C(C)C)C(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)C=O
InChIInChI=1S/C30H54FNO3SSi2/c1-21(2)37(31,22(3)4)35-38(23(5)6,24(7)8)34-30(27(11)18-29-20-36-28(12)32-29)17-16-25(9)14-13-15-26(10)19-33/h16,18-24,26,30H,13-15,17H2,1-12H3/b25-16-,27-18+/t26-,30-/m0/s1
InChIKeyOHPNKABZCBHJGZ-DRWCHMNHSA-N
MW584.00 g/mol
LogP10.09
Rot. Bonds17

About (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal

(2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal (PubChem CID 71517142) has the molecular formula C30H54FNO3SSi2 and a molecular weight of 584.00 g/mol. Its IUPAC name is (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal.

Molecular Properties

Compound Name(2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal
PubChem CID71517142
Molecular FormulaC30H54FNO3SSi2
Molecular Weight584.00 g/mol
Exact Mass583.33
IUPAC Name(2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal
SMILESC/C(=C/C[C@H](O[Si](O[Si](F)(C(C)C)C(C)C)(C(C)C)C(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)C=O
InChIInChI=1S/C30H54FNO3SSi2/c1-21(2)37(31,22(3)4)35-38(23(5)6,24(7)8)34-30(27(11)18-29-20-36-28(12)32-29)17-16-25(9)14-13-15-26(10)19-33/h16,18-24,26,30H,13-15,17H2,1-12H3/b25-16-,27-18+/t26-,30-/m0/s1
InChIKeyOHPNKABZCBHJGZ-DRWCHMNHSA-N
XLogP10.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.00
LogP ≤ 510.09
H-Bond Donors ≤ 50
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
The IUPAC name of (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal (CID 71517142) is (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal.
What is the SMILES notation for (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
The canonical SMILES for (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal is C/C(=C/C[C@H](O[Si](O[Si](F)(C(C)C)C(C)C)(C(C)C)C(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)C=O.
What is the InChIKey of (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
The InChIKey is OHPNKABZCBHJGZ-DRWCHMNHSA-N. The full InChI is InChI=1S/C30H54FNO3SSi2/c1-21(2)37(31,22(3)4)35-38(23(5)6,24(7)8)34-30(27(11)18-29-20-36-28(12)32-29)17-16-25(9)14-13-15-26(10)19-33/h16,18-24,26,30H,13-15,17H2,1-12H3/b25-16-,27-18+/t26-,30-/m0/s1.
What are the key properties of (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
(2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal has a molecular weight of 584.00 g/mol, XLogP of 10.09, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6Z,9S,10E)-9-[[fluoro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal is sourced from PubChem (CID 71517142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).