lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

C15H25LiO — CID 86226987

IUPAClithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCC(C)(C)OCCCCCC[c-]1cccc1.[Li+]
InChIInChI=1S/C15H25O.Li/c1-15(2,3)16-13-9-5-4-6-10-14-11-7-8-12-14;/h7-8,11-12H,4-6,9-10,13H2,1-3H3;/q-1;+1
InChIKeyAONVSALMNDUBGE-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.33
Rot. Bonds7

About lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (PubChem CID 86226987) has the molecular formula C15H25LiO and a molecular weight of 228.31 g/mol. Its IUPAC name is lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Namelithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
PubChem CID86226987
Molecular FormulaC15H25LiO
Molecular Weight228.31 g/mol
Exact Mass228.21
IUPAC Namelithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCC(C)(C)OCCCCCC[c-]1cccc1.[Li+]
InChIInChI=1S/C15H25O.Li/c1-15(2,3)16-13-9-5-4-6-10-14-11-7-8-12-14;/h7-8,11-12H,4-6,9-10,13H2,1-3H3;/q-1;+1
InChIKeyAONVSALMNDUBGE-UHFFFAOYSA-N
XLogP1.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The IUPAC name of lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (CID 86226987) is lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.
What is the SMILES notation for lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The canonical SMILES for lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is CC(C)(C)OCCCCCC[c-]1cccc1.[Li+].
What is the InChIKey of lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The InChIKey is AONVSALMNDUBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O.Li/c1-15(2,3)16-13-9-5-4-6-10-14-11-7-8-12-14;/h7-8,11-12H,4-6,9-10,13H2,1-3H3;/q-1;+1.
What are the key properties of lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene has a molecular weight of 228.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is sourced from PubChem (CID 86226987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).