tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane

C21H40OSi — CID 139251427

IUPACtert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane
SMILESC#CCCCCCCCCC[C@@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-8-10-11-12-13-14-15-16-17-19-20(18-9-2)22-23(6,7)21(3,4)5/h1,9,20H,2,10-19H2,3-7H3/t20-/m1/s1
InChIKeyNWROIFOCIDCBFI-HXUWFJFHSA-N
MW336.64 g/mol
LogP7.10
Rot. Bonds13

About tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane (PubChem CID 139251427) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane
PubChem CID139251427
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane
SMILESC#CCCCCCCCCC[C@@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-8-10-11-12-13-14-15-16-17-19-20(18-9-2)22-23(6,7)21(3,4)5/h1,9,20H,2,10-19H2,3-7H3/t20-/m1/s1
InChIKeyNWROIFOCIDCBFI-HXUWFJFHSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.10
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
triethyl-[(Z)-1-trimethylsilylnon-1-en-4-yl]oxysilane
CID 11953737
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
12-Tridecen-2-yl trimethylsilyl ether
CID 100983019
tert-butyl-dimethyl-[(4R)-non-1-en-4-yl]oxysilane
CID 101808240
tert-butyl-dimethyl-[(3R)-5-methylideneoct-7-en-1-yn-3-yl]oxysilane
CID 134842929
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 134887179

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane (CID 139251427) is tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane is C#CCCCCCCCCC[C@@H](CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane?
The InChIKey is NWROIFOCIDCBFI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H40OSi/c1-8-10-11-12-13-14-15-16-17-19-20(18-9-2)22-23(6,7)21(3,4)5/h1,9,20H,2,10-19H2,3-7H3/t20-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane has a molecular weight of 336.64 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane is sourced from PubChem (CID 139251427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).