CID 135046755

C20H30Cl2Th — CID 135046755

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Th]Cl
InChIInChI=1S/2C10H15.2ClH.Th/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyFNEUFZMTVMZGDU-UHFFFAOYSA-L
MW573.40 g/mol
LogP7.32
Rot. Bonds

About CID 135046755

CID 135046755 (PubChem CID 135046755) has the molecular formula C20H30Cl2Th and a molecular weight of 573.40 g/mol.

Molecular Properties

Compound NameCID 135046755
PubChem CID135046755
Molecular FormulaC20H30Cl2Th
Molecular Weight573.40 g/mol
Exact Mass572.21
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Th]Cl
InChIInChI=1S/2C10H15.2ClH.Th/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyFNEUFZMTVMZGDU-UHFFFAOYSA-L
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.40
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135046755?
The IUPAC name of CID 135046755 (CID 135046755) is not available.
What is the SMILES notation for CID 135046755?
The canonical SMILES for CID 135046755 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Th]Cl.
What is the InChIKey of CID 135046755?
The InChIKey is FNEUFZMTVMZGDU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.Th/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 135046755?
CID 135046755 has a molecular weight of 573.40 g/mol, XLogP of 7.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046755 is sourced from PubChem (CID 135046755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).