CID 10486679

C18H14Mo2O2 — CID 10486679

IUPAC—
SMILESCOc1ccc(/C(C#[Mo])=C(\C#[Mo])c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H14O2.2Mo/c1-13(15-5-9-17(19-3)10-6-15)14(2)16-7-11-18(20-4)12-8-16;;/h5-12H,3-4H3;;/b14-13+;;
InChIKeyIDGZSYPDJNLKEU-QDBORUFSSA-N
MW454.19 g/mol
LogP3.63
Rot. Bonds4

About CID 10486679

CID 10486679 (PubChem CID 10486679) has the molecular formula C18H14Mo2O2 and a molecular weight of 454.19 g/mol.

Molecular Properties

Compound NameCID 10486679
PubChem CID10486679
Molecular FormulaC18H14Mo2O2
Molecular Weight454.19 g/mol
Exact Mass457.91
IUPAC Name—
SMILESCOc1ccc(/C(C#[Mo])=C(\C#[Mo])c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H14O2.2Mo/c1-13(15-5-9-17(19-3)10-6-15)14(2)16-7-11-18(20-4)12-8-16;;/h5-12H,3-4H3;;/b14-13+;;
InChIKeyIDGZSYPDJNLKEU-QDBORUFSSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10486679?
The IUPAC name of CID 10486679 (CID 10486679) is not available.
What is the SMILES notation for CID 10486679?
The canonical SMILES for CID 10486679 is COc1ccc(/C(C#[Mo])=C(\C#[Mo])c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 10486679?
The InChIKey is IDGZSYPDJNLKEU-QDBORUFSSA-N. The full InChI is InChI=1S/C18H14O2.2Mo/c1-13(15-5-9-17(19-3)10-6-15)14(2)16-7-11-18(20-4)12-8-16;;/h5-12H,3-4H3;;/b14-13+;;.
What are the key properties of CID 10486679?
CID 10486679 has a molecular weight of 454.19 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10486679 is sourced from PubChem (CID 10486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).