CID 134901981

C40H60Th2 — CID 134901981

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Th].[Th]
InChIInChI=1S/4C10H15.2Th/c4*1-6-7(2)9(4)10(5)8(6)3;;/h4*1-5H3;;
InChIKeyNMYBLTFKSQVPKA-UHFFFAOYSA-N
MW1005.00 g/mol
LogP11.89
Rot. Bonds

About CID 134901981

CID 134901981 (PubChem CID 134901981) has the molecular formula C40H60Th2 and a molecular weight of 1005.00 g/mol.

Molecular Properties

Compound NameCID 134901981
PubChem CID134901981
Molecular FormulaC40H60Th2
Molecular Weight1005.00 g/mol
Exact Mass1004.55
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Th].[Th]
InChIInChI=1S/4C10H15.2Th/c4*1-6-7(2)9(4)10(5)8(6)3;;/h4*1-5H3;;
InChIKeyNMYBLTFKSQVPKA-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.00
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134901981?
The IUPAC name of CID 134901981 (CID 134901981) is not available.
What is the SMILES notation for CID 134901981?
The canonical SMILES for CID 134901981 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Th].[Th].
What is the InChIKey of CID 134901981?
The InChIKey is NMYBLTFKSQVPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H15.2Th/c4*1-6-7(2)9(4)10(5)8(6)3;;/h4*1-5H3;;.
What are the key properties of CID 134901981?
CID 134901981 has a molecular weight of 1005.00 g/mol, XLogP of 11.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134901981 is sourced from PubChem (CID 134901981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).