lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane

C14H25LiOSi — CID 22643786

IUPAClithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=[C-]CC=C1)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C14H25OSi.Li/c1-11(2)16(12(3)4,13(5)6)15-14-9-7-8-10-14;/h7,9,11-13H,8H2,1-6H3;/q-1;+1
InChIKeyGVMLGDGLQBTULN-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.83
Rot. Bonds5

About lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane

lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane (PubChem CID 22643786) has the molecular formula C14H25LiOSi and a molecular weight of 244.38 g/mol. Its IUPAC name is lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namelithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane
PubChem CID22643786
Molecular FormulaC14H25LiOSi
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Namelithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=[C-]CC=C1)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C14H25OSi.Li/c1-11(2)16(12(3)4,13(5)6)15-14-9-7-8-10-14;/h7,9,11-13H,8H2,1-6H3;/q-1;+1
InChIKeyGVMLGDGLQBTULN-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane?
The IUPAC name of lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane (CID 22643786) is lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=[C-]CC=C1)(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane?
The InChIKey is GVMLGDGLQBTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25OSi.Li/c1-11(2)16(12(3)4,13(5)6)15-14-9-7-8-10-14;/h7,9,11-13H,8H2,1-6H3;/q-1;+1.
What are the key properties of lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane?
lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane has a molecular weight of 244.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclopenta-1,4-dien-1-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 22643786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).