CID 135046697

C18H27OYb- — CID 135046697

IUPAC—
SMILESC1CCOC1.C[C-](C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb]
InChIInChI=1S/2C5H5.C4H8O.C4H9.Yb/c3*1-2-4-5-3-1;1-4(2)3;/h2*1-5H;1-4H2;1-3H3;/q;;;-1;
InChIKeyAALXOFAKEPNLKH-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.46
Rot. Bonds

About CID 135046697

CID 135046697 (PubChem CID 135046697) has the molecular formula C18H27OYb- and a molecular weight of 432.45 g/mol.

Molecular Properties

Compound NameCID 135046697
PubChem CID135046697
Molecular FormulaC18H27OYb-
Molecular Weight432.45 g/mol
Exact Mass433.15
IUPAC Name—
SMILESC1CCOC1.C[C-](C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb]
InChIInChI=1S/2C5H5.C4H8O.C4H9.Yb/c3*1-2-4-5-3-1;1-4(2)3;/h2*1-5H;1-4H2;1-3H3;/q;;;-1;
InChIKeyAALXOFAKEPNLKH-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 134902491
CID 134902405
CID 134902405
manganese;oxolane
CID 70504486
manganese;oxane
CID 67062735
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of CID 135046697?
The IUPAC name of CID 135046697 (CID 135046697) is not available.
What is the SMILES notation for CID 135046697?
The canonical SMILES for CID 135046697 is C1CCOC1.C[C-](C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].
What is the InChIKey of CID 135046697?
The InChIKey is AALXOFAKEPNLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H8O.C4H9.Yb/c3*1-2-4-5-3-1;1-4(2)3;/h2*1-5H;1-4H2;1-3H3;/q;;;-1;.
What are the key properties of CID 135046697?
CID 135046697 has a molecular weight of 432.45 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046697 is sourced from PubChem (CID 135046697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).