(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal

C18H33ClO3Si — CID 158361817

IUPAC(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal
SMILESC=CC(CCCCCl)[C@H](CC(=O)CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33ClO3Si/c1-7-15(10-8-9-12-19)17(14-16(21)11-13-20)22-23(5,6)18(2,3)4/h7,13,15,17H,1,8-12,14H2,2-6H3/t15?,17-/m0/s1
InChIKeyIEXWSTGSSXLXMQ-LWKPJOBUSA-N
MW361.00 g/mol
LogP5.14
Rot. Bonds12

About (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal

(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal (PubChem CID 158361817) has the molecular formula C18H33ClO3Si and a molecular weight of 361.00 g/mol. Its IUPAC name is (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal.

Molecular Properties

Compound Name(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal
PubChem CID158361817
Molecular FormulaC18H33ClO3Si
Molecular Weight361.00 g/mol
Exact Mass360.19
IUPAC Name(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal
SMILESC=CC(CCCCCl)[C@H](CC(=O)CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33ClO3Si/c1-7-15(10-8-9-12-19)17(14-16(21)11-13-20)22-23(5,6)18(2,3)4/h7,13,15,17H,1,8-12,14H2,2-6H3/t15?,17-/m0/s1
InChIKeyIEXWSTGSSXLXMQ-LWKPJOBUSA-N
XLogP5.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.00
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal?
The IUPAC name of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal (CID 158361817) is (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal.
What is the SMILES notation for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal?
The canonical SMILES for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal is C=CC(CCCCCl)[C@H](CC(=O)CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal?
The InChIKey is IEXWSTGSSXLXMQ-LWKPJOBUSA-N. The full InChI is InChI=1S/C18H33ClO3Si/c1-7-15(10-8-9-12-19)17(14-16(21)11-13-20)22-23(5,6)18(2,3)4/h7,13,15,17H,1,8-12,14H2,2-6H3/t15?,17-/m0/s1.
What are the key properties of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal?
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal has a molecular weight of 361.00 g/mol, XLogP of 5.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-10-chloro-6-ethenyl-3-oxodecanal is sourced from PubChem (CID 158361817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).