(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal

C17H32O2Si — CID 134844755

IUPAC(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal
SMILESC[C@@H](CCC#CCCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-16(12-10-8-7-9-11-14-18)13-15-19-20(5,6)17(2,3)4/h14,16H,9-13,15H2,1-6H3/t16-/m0/s1
InChIKeyWLZWPJLGTJUSQJ-INIZCTEOSA-N
MW296.53 g/mol
LogP4.80
Rot. Bonds8

About (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal

(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal (PubChem CID 134844755) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal.

Molecular Properties

Compound Name(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal
PubChem CID134844755
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal
SMILESC[C@@H](CCC#CCCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-16(12-10-8-7-9-11-14-18)13-15-19-20(5,6)17(2,3)4/h14,16H,9-13,15H2,1-6H3/t16-/m0/s1
InChIKeyWLZWPJLGTJUSQJ-INIZCTEOSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal 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

(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]undec-2-ynal
CID 134922778
6-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal
CID 10468489
(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
CID 10709398
(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11130390

Frequently Asked Questions

What is the IUPAC name of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal?
The IUPAC name of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal (CID 134844755) is (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal.
What is the SMILES notation for (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal?
The canonical SMILES for (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal is C[C@@H](CCC#CCCC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal?
The InChIKey is WLZWPJLGTJUSQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(12-10-8-7-9-11-14-18)13-15-19-20(5,6)17(2,3)4/h14,16H,9-13,15H2,1-6H3/t16-/m0/s1.
What are the key properties of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal?
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal has a molecular weight of 296.53 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal is sourced from PubChem (CID 134844755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).