lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide

C11H15LiO — CID 134892754

IUPAClithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide
SMILESC=CCC[C@H](C)Cc1c[c-]co1.[Li+]
InChIInChI=1S/C11H15O.Li/c1-3-4-6-10(2)9-11-7-5-8-12-11;/h3,7-8,10H,1,4,6,9H2,2H3;/q-1;+1/t10-;/m0./s1
InChIKeyIJXWPWFKGXLZSQ-PPHPATTJSA-N
MW170.18 g/mol
LogP0.23
Rot. Bonds5

About lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide

lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide (PubChem CID 134892754) has the molecular formula C11H15LiO and a molecular weight of 170.18 g/mol. Its IUPAC name is lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide.

Molecular Properties

Compound Namelithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide
PubChem CID134892754
Molecular FormulaC11H15LiO
Molecular Weight170.18 g/mol
Exact Mass170.13
IUPAC Namelithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide
SMILESC=CCC[C@H](C)Cc1c[c-]co1.[Li+]
InChIInChI=1S/C11H15O.Li/c1-3-4-6-10(2)9-11-7-5-8-12-11;/h3,7-8,10H,1,4,6,9H2,2H3;/q-1;+1/t10-;/m0./s1
InChIKeyIJXWPWFKGXLZSQ-PPHPATTJSA-N
XLogP0.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide?
The IUPAC name of lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide (CID 134892754) is lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide.
What is the SMILES notation for lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide?
The canonical SMILES for lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide is C=CCC[C@H](C)Cc1c[c-]co1.[Li+].
What is the InChIKey of lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide?
The InChIKey is IJXWPWFKGXLZSQ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15O.Li/c1-3-4-6-10(2)9-11-7-5-8-12-11;/h3,7-8,10H,1,4,6,9H2,2H3;/q-1;+1/t10-;/m0./s1.
What are the key properties of lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide?
lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide has a molecular weight of 170.18 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[(2S)-2-methylhex-5-enyl]-3H-furan-3-ide is sourced from PubChem (CID 134892754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).