CID 11818893

C13H10Mo2O2 — CID 11818893

IUPAC—
SMILESCOc1ccc(C2OCC(C#[Mo])=C2C#[Mo])cc1
InChIInChI=1S/C13H10O2.2Mo/c1-9-8-15-13(10(9)2)11-4-6-12(14-3)7-5-11;;/h4-7,13H,8H2,3H3;;
InChIKeyGILKAUNKOJXKPX-UHFFFAOYSA-N
MW390.10 g/mol
LogP2.08
Rot. Bonds2

About CID 11818893

CID 11818893 (PubChem CID 11818893) has the molecular formula C13H10Mo2O2 and a molecular weight of 390.10 g/mol.

Molecular Properties

Compound NameCID 11818893
PubChem CID11818893
Molecular FormulaC13H10Mo2O2
Molecular Weight390.10 g/mol
Exact Mass393.88
IUPAC Name—
SMILESCOc1ccc(C2OCC(C#[Mo])=C2C#[Mo])cc1
InChIInChI=1S/C13H10O2.2Mo/c1-9-8-15-13(10(9)2)11-4-6-12(14-3)7-5-11;;/h4-7,13H,8H2,3H3;;
InChIKeyGILKAUNKOJXKPX-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11818893?
The IUPAC name of CID 11818893 (CID 11818893) is not available.
What is the SMILES notation for CID 11818893?
The canonical SMILES for CID 11818893 is COc1ccc(C2OCC(C#[Mo])=C2C#[Mo])cc1.
What is the InChIKey of CID 11818893?
The InChIKey is GILKAUNKOJXKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.2Mo/c1-9-8-15-13(10(9)2)11-4-6-12(14-3)7-5-11;;/h4-7,13H,8H2,3H3;;.
What are the key properties of CID 11818893?
CID 11818893 has a molecular weight of 390.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11818893 is sourced from PubChem (CID 11818893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).