lithium 2-prop-2-enoxyoxane

C8H13LiO2 — CID 13225193

IUPAClithium 2-prop-2-enoxyoxane
SMILES[H]/[C-]=C\COC1CCCCO1.[Li+]
InChIInChI=1S/C8H13O2.Li/c1-2-6-9-8-5-3-4-7-10-8;/h1-2,8H,3-7H2;/q-1;+1
InChIKeyFHXPEUTYUYSFIG-UHFFFAOYSA-N
MW148.13 g/mol
LogP-1.48
Rot. Bonds3

About lithium 2-prop-2-enoxyoxane

lithium 2-prop-2-enoxyoxane (PubChem CID 13225193) has the molecular formula C8H13LiO2 and a molecular weight of 148.13 g/mol. Its IUPAC name is lithium 2-prop-2-enoxyoxane.

Molecular Properties

Compound Namelithium 2-prop-2-enoxyoxane
PubChem CID13225193
Molecular FormulaC8H13LiO2
Molecular Weight148.13 g/mol
Exact Mass148.11
IUPAC Namelithium 2-prop-2-enoxyoxane
SMILES[H]/[C-]=C\COC1CCCCO1.[Li+]
InChIInChI=1S/C8H13O2.Li/c1-2-6-9-8-5-3-4-7-10-8;/h1-2,8H,3-7H2;/q-1;+1
InChIKeyFHXPEUTYUYSFIG-UHFFFAOYSA-N
XLogP-1.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-prop-2-enoxyoxane?
The IUPAC name of lithium 2-prop-2-enoxyoxane (CID 13225193) is lithium 2-prop-2-enoxyoxane.
What is the SMILES notation for lithium 2-prop-2-enoxyoxane?
The canonical SMILES for lithium 2-prop-2-enoxyoxane is [H]/[C-]=C\COC1CCCCO1.[Li+].
What is the InChIKey of lithium 2-prop-2-enoxyoxane?
The InChIKey is FHXPEUTYUYSFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2.Li/c1-2-6-9-8-5-3-4-7-10-8;/h1-2,8H,3-7H2;/q-1;+1.
What are the key properties of lithium 2-prop-2-enoxyoxane?
lithium 2-prop-2-enoxyoxane has a molecular weight of 148.13 g/mol, XLogP of -1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-prop-2-enoxyoxane is sourced from PubChem (CID 13225193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).