CID 117060983

C27H52Eu — CID 117060983

IUPAC—
SMILESCC1CC(C)C(C)C1C.CC1CC(C)C(C)C1C.C[C]1CC(C)C(C)[C]1C.[Eu]
InChIInChI=1S/2C9H18.C9H16.Eu/c3*1-6-5-7(2)9(4)8(6)3;/h2*6-9H,5H2,1-4H3;6,8H,5H2,1-4H3;
InChIKeyYZKMDPGEYGEHKS-UHFFFAOYSA-N
MW528.68 g/mol
LogP8.72
Rot. Bonds

About CID 117060983

CID 117060983 (PubChem CID 117060983) has the molecular formula C27H52Eu and a molecular weight of 528.68 g/mol.

Molecular Properties

Compound NameCID 117060983
PubChem CID117060983
Molecular FormulaC27H52Eu
Molecular Weight528.68 g/mol
Exact Mass529.33
IUPAC Name—
SMILESCC1CC(C)C(C)C1C.CC1CC(C)C(C)C1C.C[C]1CC(C)C(C)[C]1C.[Eu]
InChIInChI=1S/2C9H18.C9H16.Eu/c3*1-6-5-7(2)9(4)8(6)3;/h2*6-9H,5H2,1-4H3;6,8H,5H2,1-4H3;
InChIKeyYZKMDPGEYGEHKS-UHFFFAOYSA-N
XLogP8.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 117060983 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
2,3-dimethylcyclobutane-1-carbaldehyde
CID 54074602
1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane
CID 161457679
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
1,3,4,5-tetramethylcyclohexene
CID 12751050

Frequently Asked Questions

What is the IUPAC name of CID 117060983?
The IUPAC name of CID 117060983 (CID 117060983) is not available.
What is the SMILES notation for CID 117060983?
The canonical SMILES for CID 117060983 is CC1CC(C)C(C)C1C.CC1CC(C)C(C)C1C.C[C]1CC(C)C(C)[C]1C.[Eu].
What is the InChIKey of CID 117060983?
The InChIKey is YZKMDPGEYGEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18.C9H16.Eu/c3*1-6-5-7(2)9(4)8(6)3;/h2*6-9H,5H2,1-4H3;6,8H,5H2,1-4H3;.
What are the key properties of CID 117060983?
CID 117060983 has a molecular weight of 528.68 g/mol, XLogP of 8.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 117060983 is sourced from PubChem (CID 117060983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).