(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal

C16H32O3Si — CID 11536749

IUPAC(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal
SMILESC/C(=C/CO)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C16H32O3Si/c1-13(10-11-17)8-9-15(14(2)12-18)19-20(6,7)16(3,4)5/h10,12,14-15,17H,8-9,11H2,1-7H3/b13-10-/t14?,15-/m0/s1
InChIKeyJMNFKTQWQYZZQZ-KYZDOZMGSA-N
MW300.52 g/mol
LogP3.93
Rot. Bonds8

About (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal

(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal (PubChem CID 11536749) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal.

Molecular Properties

Compound Name(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal
PubChem CID11536749
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal
SMILESC/C(=C/CO)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C16H32O3Si/c1-13(10-11-17)8-9-15(14(2)12-18)19-20(6,7)16(3,4)5/h10,12,14-15,17H,8-9,11H2,1-7H3/b13-10-/t14?,15-/m0/s1
InChIKeyJMNFKTQWQYZZQZ-KYZDOZMGSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal?
The IUPAC name of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal (CID 11536749) is (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal.
What is the SMILES notation for (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal?
The canonical SMILES for (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal is C/C(=C/CO)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal?
The InChIKey is JMNFKTQWQYZZQZ-KYZDOZMGSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-13(10-11-17)8-9-15(14(2)12-18)19-20(6,7)16(3,4)5/h10,12,14-15,17H,8-9,11H2,1-7H3/b13-10-/t14?,15-/m0/s1.
What are the key properties of (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal?
(Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal has a molecular weight of 300.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloct-6-enal is sourced from PubChem (CID 11536749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).