lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium

C7H11LiO3P+ — CID 88596359

IUPAClithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium
SMILESC=CCC(CC=C)O[P+](=O)[O-].[Li+]
InChIInChI=1S/C7H11O3P.Li/c1-3-5-7(6-4-2)10-11(8)9;/h3-4,7H,1-2,5-6H2;/q;+1
InChIKeyWKVRMOWGHBBCIE-UHFFFAOYSA-N
MW181.08 g/mol
LogP-1.45
Rot. Bonds6

About lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium

lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium (PubChem CID 88596359) has the molecular formula C7H11LiO3P+ and a molecular weight of 181.08 g/mol. Its IUPAC name is lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium.

Molecular Properties

Compound Namelithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium
PubChem CID88596359
Molecular FormulaC7H11LiO3P+
Molecular Weight181.08 g/mol
Exact Mass181.06
IUPAC Namelithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium
SMILESC=CCC(CC=C)O[P+](=O)[O-].[Li+]
InChIInChI=1S/C7H11O3P.Li/c1-3-5-7(6-4-2)10-11(8)9;/h3-4,7H,1-2,5-6H2;/q;+1
InChIKeyWKVRMOWGHBBCIE-UHFFFAOYSA-N
XLogP-1.45
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
The IUPAC name of lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium (CID 88596359) is lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium.
What is the SMILES notation for lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
The canonical SMILES for lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium is C=CCC(CC=C)O[P+](=O)[O-].[Li+].
What is the InChIKey of lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
The InChIKey is WKVRMOWGHBBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3P.Li/c1-3-5-7(6-4-2)10-11(8)9;/h3-4,7H,1-2,5-6H2;/q;+1.
What are the key properties of lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium has a molecular weight of 181.08 g/mol, XLogP of -1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hepta-1,6-dien-4-yloxy-oxido-oxophosphanium is sourced from PubChem (CID 88596359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).