bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)

C18H34Ti+2 — CID 23228751

IUPACbis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)
SMILESC1CCCC1.C1CCCC1.[H][C-]=C(C)C.[H][C-]=C(C)C.[Ti+4]
InChIInChI=1S/2C5H10.2C4H7.Ti/c2*1-2-4-5-3-1;2*1-4(2)3;/h2*1-5H2;2*1H,2-3H3;/q;;2*-1;+4
InChIKeyTZACNYZWBODQMY-UHFFFAOYSA-N
MW298.34 g/mol
LogP6.67
Rot. Bonds

About bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)

bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+) (PubChem CID 23228751) has the molecular formula C18H34Ti+2 and a molecular weight of 298.34 g/mol. Its IUPAC name is bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+).

Molecular Properties

Compound Namebis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)
PubChem CID23228751
Molecular FormulaC18H34Ti+2
Molecular Weight298.34 g/mol
Exact Mass298.21
IUPAC Namebis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)
SMILESC1CCCC1.C1CCCC1.[H][C-]=C(C)C.[H][C-]=C(C)C.[Ti+4]
InChIInChI=1S/2C5H10.2C4H7.Ti/c2*1-2-4-5-3-1;2*1-4(2)3;/h2*1-5H2;2*1H,2-3H3;/q;;2*-1;+4
InChIKeyTZACNYZWBODQMY-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.34
LogP ≤ 56.67
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 bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)?
The IUPAC name of bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+) (CID 23228751) is bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+).
What is the SMILES notation for bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)?
The canonical SMILES for bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+) is C1CCCC1.C1CCCC1.[H][C-]=C(C)C.[H][C-]=C(C)C.[Ti+4].
What is the InChIKey of bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)?
The InChIKey is TZACNYZWBODQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.2C4H7.Ti/c2*1-2-4-5-3-1;2*1-4(2)3;/h2*1-5H2;2*1H,2-3H3;/q;;2*-1;+4.
What are the key properties of bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+)?
bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+) has a molecular weight of 298.34 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);bis(2-methylprop-1-ene);titanium(4+) is sourced from PubChem (CID 23228751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).