CID 131880549

C5H12LiO — CID 131880549

IUPAC—
SMILESCCC(C)(C)O.[Li]
InChIInChI=1S/C5H12O.Li/c1-4-5(2,3)6;/h6H,4H2,1-3H3;
InChIKeyXCWOVWJWARMDDC-UHFFFAOYSA-N
MW95.09 g/mol
LogP0.79
Rot. Bonds1

About CID 131880549

CID 131880549 (PubChem CID 131880549) has the molecular formula C5H12LiO and a molecular weight of 95.09 g/mol.

Molecular Properties

Compound NameCID 131880549
PubChem CID131880549
Molecular FormulaC5H12LiO
Molecular Weight95.09 g/mol
Exact Mass95.10
IUPAC Name—
SMILESCCC(C)(C)O.[Li]
InChIInChI=1S/C5H12O.Li/c1-4-5(2,3)6;/h6H,4H2,1-3H3;
InChIKeyXCWOVWJWARMDDC-UHFFFAOYSA-N
XLogP0.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 131880549?
The IUPAC name of CID 131880549 (CID 131880549) is not available.
What is the SMILES notation for CID 131880549?
The canonical SMILES for CID 131880549 is CCC(C)(C)O.[Li].
What is the InChIKey of CID 131880549?
The InChIKey is XCWOVWJWARMDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Li/c1-4-5(2,3)6;/h6H,4H2,1-3H3;.
What are the key properties of CID 131880549?
CID 131880549 has a molecular weight of 95.09 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131880549 is sourced from PubChem (CID 131880549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).