CID 68827924

C6H12LiO — CID 68827924

IUPAC—
SMILESCC1(O)CCCC1.[Li]
InChIInChI=1S/C6H12O.Li/c1-6(7)4-2-3-5-6;/h7H,2-5H2,1H3;
InChIKeyXXPBSUXAKBXRNR-UHFFFAOYSA-N
MW107.10 g/mol
LogP0.93
Rot. Bonds

About CID 68827924

CID 68827924 (PubChem CID 68827924) has the molecular formula C6H12LiO and a molecular weight of 107.10 g/mol.

Molecular Properties

Compound NameCID 68827924
PubChem CID68827924
Molecular FormulaC6H12LiO
Molecular Weight107.10 g/mol
Exact Mass107.10
IUPAC Name—
SMILESCC1(O)CCCC1.[Li]
InChIInChI=1S/C6H12O.Li/c1-6(7)4-2-3-5-6;/h7H,2-5H2,1H3;
InChIKeyXXPBSUXAKBXRNR-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 68827924?
The IUPAC name of CID 68827924 (CID 68827924) is not available.
What is the SMILES notation for CID 68827924?
The canonical SMILES for CID 68827924 is CC1(O)CCCC1.[Li].
What is the InChIKey of CID 68827924?
The InChIKey is XXPBSUXAKBXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.Li/c1-6(7)4-2-3-5-6;/h7H,2-5H2,1H3;.
What are the key properties of CID 68827924?
CID 68827924 has a molecular weight of 107.10 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68827924 is sourced from PubChem (CID 68827924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).