carbanide;cyclopenta-1,3-diene;propane;titanium

C18H38Ti-8 — CID 174419240

IUPACcarbanide;cyclopenta-1,3-diene;propane;titanium
SMILESC[CH-]C.C[CH-]C.C[CH-]C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C5H5.3C3H7.4CH3.Ti/c1-2-4-5-3-1;3*1-3-2;;;;;/h1-3H,4H2;3*3H,1-2H3;4*1H3;/q8*-1;
InChIKeyCDMPAFNRMTVVBW-UHFFFAOYSA-N
MW302.37 g/mol
LogP6.80
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;propane;titanium

carbanide;cyclopenta-1,3-diene;propane;titanium (PubChem CID 174419240) has the molecular formula C18H38Ti-8 and a molecular weight of 302.37 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;propane;titanium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;propane;titanium
PubChem CID174419240
Molecular FormulaC18H38Ti-8
Molecular Weight302.37 g/mol
Exact Mass302.25
IUPAC Namecarbanide;cyclopenta-1,3-diene;propane;titanium
SMILESC[CH-]C.C[CH-]C.C[CH-]C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C5H5.3C3H7.4CH3.Ti/c1-2-4-5-3-1;3*1-3-2;;;;;/h1-3H,4H2;3*3H,1-2H3;4*1H3;/q8*-1;
InChIKeyCDMPAFNRMTVVBW-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;propane;titanium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;propane;titanium (CID 174419240) is carbanide;cyclopenta-1,3-diene;propane;titanium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;propane;titanium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;propane;titanium is C[CH-]C.C[CH-]C.C[CH-]C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[Ti].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;propane;titanium?
The InChIKey is CDMPAFNRMTVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C3H7.4CH3.Ti/c1-2-4-5-3-1;3*1-3-2;;;;;/h1-3H,4H2;3*3H,1-2H3;4*1H3;/q8*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;propane;titanium?
carbanide;cyclopenta-1,3-diene;propane;titanium has a molecular weight of 302.37 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;propane;titanium is sourced from PubChem (CID 174419240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).