CID 134981728

C14H26MoOSSi- — CID 134981728

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.O=[Mo]=S.[CH2-][Si](C)(C)C
InChIInChI=1S/C10H15.C4H11Si.Mo.O.S/c1-6-7(2)9(4)10(5)8(6)3;1-5(2,3)4;;;/h1-5H3;1H2,2-4H3;;;/q;-1;;;
InChIKeyOVAAJYWLDQZTRX-UHFFFAOYSA-N
MW366.45 g/mol
LogP5.49
Rot. Bonds

About CID 134981728

CID 134981728 (PubChem CID 134981728) has the molecular formula C14H26MoOSSi- and a molecular weight of 366.45 g/mol.

Molecular Properties

Compound NameCID 134981728
PubChem CID134981728
Molecular FormulaC14H26MoOSSi-
Molecular Weight366.45 g/mol
Exact Mass368.05
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.O=[Mo]=S.[CH2-][Si](C)(C)C
InChIInChI=1S/C10H15.C4H11Si.Mo.O.S/c1-6-7(2)9(4)10(5)8(6)3;1-5(2,3)4;;;/h1-5H3;1H2,2-4H3;;;/q;-1;;;
InChIKeyOVAAJYWLDQZTRX-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134981728?
The IUPAC name of CID 134981728 (CID 134981728) is not available.
What is the SMILES notation for CID 134981728?
The canonical SMILES for CID 134981728 is C[C]1C(C)=C(C)C(C)=C1C.O=[Mo]=S.[CH2-][Si](C)(C)C.
What is the InChIKey of CID 134981728?
The InChIKey is OVAAJYWLDQZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C4H11Si.Mo.O.S/c1-6-7(2)9(4)10(5)8(6)3;1-5(2,3)4;;;/h1-5H3;1H2,2-4H3;;;/q;-1;;;.
What are the key properties of CID 134981728?
CID 134981728 has a molecular weight of 366.45 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981728 is sourced from PubChem (CID 134981728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).