CID 135046592

C16H28LiNdO2 — CID 135046592

IUPAC—
SMILESC1COCCO1.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[Li].[Nd]
InChIInChI=1S/C4H8O2.4C3H5.Li.Nd/c1-2-6-4-3-5-1;4*1-3-2;;/h1-4H2;4*3H,1-2H2;;
InChIKeyJWSCGYQFSVQESE-UHFFFAOYSA-N
MW403.58 g/mol
LogP3.09
Rot. Bonds

About CID 135046592

CID 135046592 (PubChem CID 135046592) has the molecular formula C16H28LiNdO2 and a molecular weight of 403.58 g/mol.

Molecular Properties

Compound NameCID 135046592
PubChem CID135046592
Molecular FormulaC16H28LiNdO2
Molecular Weight403.58 g/mol
Exact Mass401.13
IUPAC Name—
SMILESC1COCCO1.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[Li].[Nd]
InChIInChI=1S/C4H8O2.4C3H5.Li.Nd/c1-2-6-4-3-5-1;4*1-3-2;;/h1-4H2;4*3H,1-2H2;;
InChIKeyJWSCGYQFSVQESE-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.58
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methane;oxirane
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Frequently Asked Questions

What is the IUPAC name of CID 135046592?
The IUPAC name of CID 135046592 (CID 135046592) is not available.
What is the SMILES notation for CID 135046592?
The canonical SMILES for CID 135046592 is C1COCCO1.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[Li].[Nd].
What is the InChIKey of CID 135046592?
The InChIKey is JWSCGYQFSVQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.4C3H5.Li.Nd/c1-2-6-4-3-5-1;4*1-3-2;;/h1-4H2;4*3H,1-2H2;;.
What are the key properties of CID 135046592?
CID 135046592 has a molecular weight of 403.58 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046592 is sourced from PubChem (CID 135046592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).