lithium;2-but-1-en-2-yloxybut-1-ene;hydride

C8H15LiO — CID 172995000

IUPAClithium;2-but-1-en-2-yloxybut-1-ene;hydride
SMILESC=C(CC)OC(=C)CC.[H-].[Li+]
InChIInChI=1S/C8H14O.Li.H/c1-5-7(3)9-8(4)6-2;;/h3-6H2,1-2H3;;/q;+1;-1
InChIKeyGGZWJOZJCUSRAV-UHFFFAOYSA-N
MW134.15 g/mol
LogP-0.03
Rot. Bonds4

About lithium;2-but-1-en-2-yloxybut-1-ene;hydride

lithium;2-but-1-en-2-yloxybut-1-ene;hydride (PubChem CID 172995000) has the molecular formula C8H15LiO and a molecular weight of 134.15 g/mol. Its IUPAC name is lithium;2-but-1-en-2-yloxybut-1-ene;hydride.

Molecular Properties

Compound Namelithium;2-but-1-en-2-yloxybut-1-ene;hydride
PubChem CID172995000
Molecular FormulaC8H15LiO
Molecular Weight134.15 g/mol
Exact Mass134.13
IUPAC Namelithium;2-but-1-en-2-yloxybut-1-ene;hydride
SMILESC=C(CC)OC(=C)CC.[H-].[Li+]
InChIInChI=1S/C8H14O.Li.H/c1-5-7(3)9-8(4)6-2;;/h3-6H2,1-2H3;;/q;+1;-1
InChIKeyGGZWJOZJCUSRAV-UHFFFAOYSA-N
XLogP-0.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;2-but-1-en-2-yloxybut-1-ene;hydride?
The IUPAC name of lithium;2-but-1-en-2-yloxybut-1-ene;hydride (CID 172995000) is lithium;2-but-1-en-2-yloxybut-1-ene;hydride.
What is the SMILES notation for lithium;2-but-1-en-2-yloxybut-1-ene;hydride?
The canonical SMILES for lithium;2-but-1-en-2-yloxybut-1-ene;hydride is C=C(CC)OC(=C)CC.[H-].[Li+].
What is the InChIKey of lithium;2-but-1-en-2-yloxybut-1-ene;hydride?
The InChIKey is GGZWJOZJCUSRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.Li.H/c1-5-7(3)9-8(4)6-2;;/h3-6H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;2-but-1-en-2-yloxybut-1-ene;hydride?
lithium;2-but-1-en-2-yloxybut-1-ene;hydride has a molecular weight of 134.15 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-but-1-en-2-yloxybut-1-ene;hydride is sourced from PubChem (CID 172995000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).