(2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal

C14H26OSi — CID 10999076

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal
SMILESCCCCC#C[C@@H](C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-8-9-10-11-13(12-15)16(5,6)14(2,3)4/h12-13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyQRSORMRZMFBKLV-ZDUSSCGKSA-N
MW238.45 g/mol
LogP4.26
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal

(2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal (PubChem CID 10999076) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal
PubChem CID10999076
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal
SMILESCCCCC#C[C@@H](C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-8-9-10-11-13(12-15)16(5,6)14(2,3)4/h12-13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyQRSORMRZMFBKLV-ZDUSSCGKSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-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

3-[tert-butyl(dimethyl)silyl]-1-trimethylsilyldeca-1,5-diyn-4-ol
CID 135049710
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
tert-butyl-[1-(methoxymethoxy)non-2-ynyl]-dimethylsilane
CID 11243480
3-hydroxy-2-pentyldec-4-ynal
CID 15474728
trimethyl-[(2R)-oct-3-yn-2-yl]stannane
CID 15532108
1-deuterio-4-methyldec-5-yn-1-one
CID 101373771
1,1-dichlorohex-2-yne
CID 15164826
2-chloro-2-methyloct-3-yne
CID 10855756
1-chloro-1-fluoronon-2-yne
CID 11658373
3-tert-butyl-2-hydroperoxy-2-methylnon-4-yne
CID 140562441
hex-1-ynyl(trimethyl)stannane
CID 10933747
pentadeca-5,10-diyne
CID 15530767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal (CID 10999076) is (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal is CCCCC#C[C@@H](C=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal?
The InChIKey is QRSORMRZMFBKLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26OSi/c1-7-8-9-10-11-13(12-15)16(5,6)14(2,3)4/h12-13H,7-9H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal?
(2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal has a molecular weight of 238.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oct-3-ynal is sourced from PubChem (CID 10999076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).