lithium tert-butyl-dimethyl-pent-4-ynoxysilane

C11H21LiOSi — CID 11041880

IUPAClithium tert-butyl-dimethyl-pent-4-ynoxysilane
SMILES[C-]#CCCCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C11H21OSi.Li/c1-7-8-9-10-12-13(5,6)11(2,3)4;/h8-10H2,2-6H3;/q-1;+1
InChIKeyRVVCWNNZCXROED-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.38
Rot. Bonds4

About lithium tert-butyl-dimethyl-pent-4-ynoxysilane

lithium tert-butyl-dimethyl-pent-4-ynoxysilane (PubChem CID 11041880) has the molecular formula C11H21LiOSi and a molecular weight of 204.31 g/mol. Its IUPAC name is lithium tert-butyl-dimethyl-pent-4-ynoxysilane.

Molecular Properties

Compound Namelithium tert-butyl-dimethyl-pent-4-ynoxysilane
PubChem CID11041880
Molecular FormulaC11H21LiOSi
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Namelithium tert-butyl-dimethyl-pent-4-ynoxysilane
SMILES[C-]#CCCCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C11H21OSi.Li/c1-7-8-9-10-12-13(5,6)11(2,3)4;/h8-10H2,2-6H3;/q-1;+1
InChIKeyRVVCWNNZCXROED-UHFFFAOYSA-N
XLogP0.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-dimethyl-pent-4-ynoxysilane?
The IUPAC name of lithium tert-butyl-dimethyl-pent-4-ynoxysilane (CID 11041880) is lithium tert-butyl-dimethyl-pent-4-ynoxysilane.
What is the SMILES notation for lithium tert-butyl-dimethyl-pent-4-ynoxysilane?
The canonical SMILES for lithium tert-butyl-dimethyl-pent-4-ynoxysilane is [C-]#CCCCO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium tert-butyl-dimethyl-pent-4-ynoxysilane?
The InChIKey is RVVCWNNZCXROED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OSi.Li/c1-7-8-9-10-12-13(5,6)11(2,3)4;/h8-10H2,2-6H3;/q-1;+1.
What are the key properties of lithium tert-butyl-dimethyl-pent-4-ynoxysilane?
lithium tert-butyl-dimethyl-pent-4-ynoxysilane has a molecular weight of 204.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-dimethyl-pent-4-ynoxysilane is sourced from PubChem (CID 11041880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).