hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane

C13H26OSi — CID 102287855

IUPAChept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCCCCCC#C[Si](C)(C)OC(C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-9-10-11-12-15(5,6)14-13(2,3)4/h7-10H2,1-6H3
InChIKeyJFTJUAKXVNDYRH-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.13
Rot. Bonds4

About hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane

hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 102287855) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Namehept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
PubChem CID102287855
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namehept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCCCCCC#C[Si](C)(C)OC(C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-9-10-11-12-15(5,6)14-13(2,3)4/h7-10H2,1-6H3
InChIKeyJFTJUAKXVNDYRH-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.13
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'}

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Related Compounds

((1,1-Dimethyl-2-propynyl)oxy)trimethylsilane
CID 87344
Silane, (1,1-dimethylethyl)[(1,1-dimethyl-2-propynyl)oxy]dimethyl-
CID 11084826
Triethyl[(2-methylbut-3-yn-2-yl)oxy]silane
CID 12489715
Trimethyl-(2-methyl-4-trimethylstannylbut-3-yn-2-yl)oxysilane
CID 10914162
(Hex-1-yn-1-yloxy)triisopropylsilane
CID 11821158
Trimethyl-(3-methyl-3-trimethylsilyloxypenta-1,4-diynyl)silane
CID 139249384
Tert-butyl-dimethyl-(3-methyl-1-trimethylsilylpenta-1,4-diyn-3-yl)oxysilane
CID 139249385
6-t-Butyldimethylsiloxylhexyllithium
CID 154926148
Trimethyl(2-methylhex-3-yn-2-yloxy)silane
CID 4071235
tert-Butyldimethyl(oct-2-yn-1-yloxy)silane
CID 11791326
Trimethyl{[2-methyl-4-(trimethylsilyl)but-3-yn-2-yl]oxy}silane
CID 13081171
Tert-butyl-but-1-ynoxy-dimethylsilane
CID 21191907

Frequently Asked Questions

What is the IUPAC name of hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane (CID 102287855) is hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane is CCCCCC#C[Si](C)(C)OC(C)(C)C.
What is the InChIKey of hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is JFTJUAKXVNDYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-8-9-10-11-12-15(5,6)14-13(2,3)4/h7-10H2,1-6H3.
What are the key properties of hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 226.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-ynyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 102287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).