lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran

C11H19LiO2 — CID 135037587

IUPAClithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
SMILES[CH2-]C[C@H](C)[C@@H]1O[C@@H](OC)C=C[C@@H]1C.[Li+]
InChIInChI=1S/C11H19O2.Li/c1-5-8(2)11-9(3)6-7-10(12-4)13-11;/h6-11H,1,5H2,2-4H3;/q-1;+1/t8-,9-,10+,11-;/m0./s1
InChIKeyIKJCZRUAVWQVKL-CWXCEVAHSA-N
MW190.21 g/mol
LogP-0.59
Rot. Bonds3

About lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran

lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran (PubChem CID 135037587) has the molecular formula C11H19LiO2 and a molecular weight of 190.21 g/mol. Its IUPAC name is lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Namelithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
PubChem CID135037587
Molecular FormulaC11H19LiO2
Molecular Weight190.21 g/mol
Exact Mass190.15
IUPAC Namelithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
SMILES[CH2-]C[C@H](C)[C@@H]1O[C@@H](OC)C=C[C@@H]1C.[Li+]
InChIInChI=1S/C11H19O2.Li/c1-5-8(2)11-9(3)6-7-10(12-4)13-11;/h6-11H,1,5H2,2-4H3;/q-1;+1/t8-,9-,10+,11-;/m0./s1
InChIKeyIKJCZRUAVWQVKL-CWXCEVAHSA-N
XLogP-0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran (CID 135037587) is lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran is [CH2-]C[C@H](C)[C@@H]1O[C@@H](OC)C=C[C@@H]1C.[Li+].
What is the InChIKey of lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
The InChIKey is IKJCZRUAVWQVKL-CWXCEVAHSA-N. The full InChI is InChI=1S/C11H19O2.Li/c1-5-8(2)11-9(3)6-7-10(12-4)13-11;/h6-11H,1,5H2,2-4H3;/q-1;+1/t8-,9-,10+,11-;/m0./s1.
What are the key properties of lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran?
lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran has a molecular weight of 190.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S,3S,6R)-2-[(2S)-butan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 135037587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).