lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene

C10H19LiO — CID 10997365

IUPAClithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene
SMILES[H]/[C-]=C\C(CCC)OC(C)(C)C.[Li+]
InChIInChI=1S/C10H19O.Li/c1-6-8-9(7-2)11-10(3,4)5;/h2,7,9H,6,8H2,1,3-5H3;/q-1;+1
InChIKeyVFHFDZDWLPVZQC-UHFFFAOYSA-N
MW162.20 g/mol
LogP-0.04
Rot. Bonds4

About lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene

lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene (PubChem CID 10997365) has the molecular formula C10H19LiO and a molecular weight of 162.20 g/mol. Its IUPAC name is lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene.

Molecular Properties

Compound Namelithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene
PubChem CID10997365
Molecular FormulaC10H19LiO
Molecular Weight162.20 g/mol
Exact Mass162.16
IUPAC Namelithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene
SMILES[H]/[C-]=C\C(CCC)OC(C)(C)C.[Li+]
InChIInChI=1S/C10H19O.Li/c1-6-8-9(7-2)11-10(3,4)5;/h2,7,9H,6,8H2,1,3-5H3;/q-1;+1
InChIKeyVFHFDZDWLPVZQC-UHFFFAOYSA-N
XLogP-0.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[(2-methylpropan-2-yl)oxy]hex-1-ene?
The IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene (CID 10997365) is lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene.
What is the SMILES notation for lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene?
The canonical SMILES for lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene is [H]/[C-]=C\C(CCC)OC(C)(C)C.[Li+].
What is the InChIKey of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene?
The InChIKey is VFHFDZDWLPVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O.Li/c1-6-8-9(7-2)11-10(3,4)5;/h2,7,9H,6,8H2,1,3-5H3;/q-1;+1.
What are the key properties of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene?
lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene has a molecular weight of 162.20 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene is sourced from PubChem (CID 10997365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).