tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane

C19H34OSi — CID 134844756

IUPACtert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
SMILESCC#CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-8-9-10-11-12-13-14-15-18(2)16-17-20-21(6,7)19(3,4)5/h18H,10-11,14-17H2,1-7H3/t18-/m0/s1
InChIKeyZFQUOTHSBAJYMW-SFHVURJKSA-N
MW306.57 g/mol
LogP5.62
Rot. Bonds7

About tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane

tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane (PubChem CID 134844756) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
PubChem CID134844756
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
SMILESCC#CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-8-9-10-11-12-13-14-15-18(2)16-17-20-21(6,7)19(3,4)5/h18H,10-11,14-17H2,1-7H3/t18-/m0/s1
InChIKeyZFQUOTHSBAJYMW-SFHVURJKSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane 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

2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91737493
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
Silane, diethylhexyloxy(3-methylpentyloxy)-
CID 91739182
Silane, diethylhexyloxyisohexyloxy-
CID 91739184
Silane, diethylhexyloxy(2-methylpentyloxy)-
CID 91739188
Silane, diethylbutoxy(2-ethylhexyloxy)-
CID 91739206
Silane, diethyl(2-ethylbutoxy)hexyloxy-
CID 91739215
Silane, diethyl(2-ethylhexyloxy)pentyloxy-
CID 91740267
Silane, diethyl(2-ethylhexyloxy)isohexyloxy-
CID 91741054
Silane, diethyl(2-ethylhexyloxy)hexyloxy-
CID 91741068

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane (CID 134844756) is tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane is CC#CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane?
The InChIKey is ZFQUOTHSBAJYMW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H34OSi/c1-8-9-10-11-12-13-14-15-18(2)16-17-20-21(6,7)19(3,4)5/h18H,10-11,14-17H2,1-7H3/t18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane?
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane has a molecular weight of 306.57 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane is sourced from PubChem (CID 134844756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).