carbanide;prop-1-yne;tungsten

C5H9W-3 — CID 59806098

IUPACcarbanide;prop-1-yne;tungsten
SMILESC#C[CH2-].[CH3-].[CH3-].[W]
InChIInChI=1S/C3H3.2CH3.W/c1-3-2;;;/h1H,2H2;2*1H3;/q3*-1;
InChIKeyKMXDDHQRBXICCB-UHFFFAOYSA-N
MW252.97 g/mol
LogP1.35
Rot. Bonds

About carbanide;prop-1-yne;tungsten

carbanide;prop-1-yne;tungsten (PubChem CID 59806098) has the molecular formula C5H9W-3 and a molecular weight of 252.97 g/mol. Its IUPAC name is carbanide;prop-1-yne;tungsten.

Molecular Properties

Compound Namecarbanide;prop-1-yne;tungsten
PubChem CID59806098
Molecular FormulaC5H9W-3
Molecular Weight252.97 g/mol
Exact Mass253.02
IUPAC Namecarbanide;prop-1-yne;tungsten
SMILESC#C[CH2-].[CH3-].[CH3-].[W]
InChIInChI=1S/C3H3.2CH3.W/c1-3-2;;;/h1H,2H2;2*1H3;/q3*-1;
InChIKeyKMXDDHQRBXICCB-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.97
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;prop-1-yne;tungsten?
The IUPAC name of carbanide;prop-1-yne;tungsten (CID 59806098) is carbanide;prop-1-yne;tungsten.
What is the SMILES notation for carbanide;prop-1-yne;tungsten?
The canonical SMILES for carbanide;prop-1-yne;tungsten is C#C[CH2-].[CH3-].[CH3-].[W].
What is the InChIKey of carbanide;prop-1-yne;tungsten?
The InChIKey is KMXDDHQRBXICCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3.2CH3.W/c1-3-2;;;/h1H,2H2;2*1H3;/q3*-1;.
What are the key properties of carbanide;prop-1-yne;tungsten?
carbanide;prop-1-yne;tungsten has a molecular weight of 252.97 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;prop-1-yne;tungsten is sourced from PubChem (CID 59806098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).