CID 134981885

C18H23Co — CID 134981885

IUPAC—
SMILESC1=C2CCCC[C@H]2[C@H]2CCCC2=C1.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C13H18.C5H5.Co/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-2-4-5-3-1;/h8-9,12-13H,1-7H2;1-5H;/t12-,13+;;/m1../s1
InChIKeySAHGYZWOLMDCCP-VAALMUBNSA-N
MW298.31 g/mol
LogP5.16
Rot. Bonds

About CID 134981885

CID 134981885 (PubChem CID 134981885) has the molecular formula C18H23Co and a molecular weight of 298.31 g/mol.

Molecular Properties

Compound NameCID 134981885
PubChem CID134981885
Molecular FormulaC18H23Co
Molecular Weight298.31 g/mol
Exact Mass298.11
IUPAC Name—
SMILESC1=C2CCCC[C@H]2[C@H]2CCCC2=C1.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C13H18.C5H5.Co/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-2-4-5-3-1;/h8-9,12-13H,1-7H2;1-5H;/t12-,13+;;/m1../s1
InChIKeySAHGYZWOLMDCCP-VAALMUBNSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.31
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Bis(tetrahydroindenyl)ethane
CID 88193156
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CID 129670936
Octahydro-triphenylene
CID 129671994
1,2-Bis(tetrahydroindenyl)ethane
CID 129702092
Phenanthrene-d12
CID 129723961
Acenaphthene-d12
CID 129724292
Cyclohexylenefulvene
CID 129731698
Hexahydro 1h cyclopenta[b]naphthalen
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Frequently Asked Questions

What is the IUPAC name of CID 134981885?
The IUPAC name of CID 134981885 (CID 134981885) is not available.
What is the SMILES notation for CID 134981885?
The canonical SMILES for CID 134981885 is C1=C2CCCC[C@H]2[C@H]2CCCC2=C1.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 134981885?
The InChIKey is SAHGYZWOLMDCCP-VAALMUBNSA-N. The full InChI is InChI=1S/C13H18.C5H5.Co/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-2-4-5-3-1;/h8-9,12-13H,1-7H2;1-5H;/t12-,13+;;/m1../s1.
What are the key properties of CID 134981885?
CID 134981885 has a molecular weight of 298.31 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981885 is sourced from PubChem (CID 134981885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).