lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride

C7H13LiO3P+ — CID 173386040

IUPAClithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride
SMILESC=CCC(CC=C)O[P+](=O)O.[H-].[Li+]
InChIInChI=1S/C7H11O3P.Li.H/c1-3-5-7(6-4-2)10-11(8)9;;/h3-4,7H,1-2,5-6H2;;/q;+1;-1/p+1
InChIKeyYXCZPOYCDUHVOJ-UHFFFAOYSA-O
MW183.09 g/mol
LogP-0.71
Rot. Bonds6

About lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride

lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride (PubChem CID 173386040) has the molecular formula C7H13LiO3P+ and a molecular weight of 183.09 g/mol. Its IUPAC name is lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride.

Molecular Properties

Compound Namelithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride
PubChem CID173386040
Molecular FormulaC7H13LiO3P+
Molecular Weight183.09 g/mol
Exact Mass183.08
IUPAC Namelithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride
SMILESC=CCC(CC=C)O[P+](=O)O.[H-].[Li+]
InChIInChI=1S/C7H11O3P.Li.H/c1-3-5-7(6-4-2)10-11(8)9;;/h3-4,7H,1-2,5-6H2;;/q;+1;-1/p+1
InChIKeyYXCZPOYCDUHVOJ-UHFFFAOYSA-O
XLogP-0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-oxophosphanium;hydride?
The IUPAC name of lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride (CID 173386040) is lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride.
What is the SMILES notation for lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride?
The canonical SMILES for lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride is C=CCC(CC=C)O[P+](=O)O.[H-].[Li+].
What is the InChIKey of lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride?
The InChIKey is YXCZPOYCDUHVOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11O3P.Li.H/c1-3-5-7(6-4-2)10-11(8)9;;/h3-4,7H,1-2,5-6H2;;/q;+1;-1/p+1.
What are the key properties of lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride?
lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride has a molecular weight of 183.09 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hepta-1,6-dien-4-yloxy-hydroxy-oxophosphanium;hydride is sourced from PubChem (CID 173386040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).