chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene

C14H27ClTi+2 — CID 23228612

IUPACchlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene
SMILESC1CCCC1.C1CCCC1.Cl[Ti+3].[H][C-]=C(C)C
InChIInChI=1S/2C5H10.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H2;1H,2-3H3;1H;/q;;-1;;+4/p-1
InChIKeyAUMUAYQUOUPGQP-UHFFFAOYSA-M
MW278.69 g/mol
LogP5.97
Rot. Bonds

About chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene

chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene (PubChem CID 23228612) has the molecular formula C14H27ClTi+2 and a molecular weight of 278.69 g/mol. Its IUPAC name is chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene.

Molecular Properties

Compound Namechlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene
PubChem CID23228612
Molecular FormulaC14H27ClTi+2
Molecular Weight278.69 g/mol
Exact Mass278.13
IUPAC Namechlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene
SMILESC1CCCC1.C1CCCC1.Cl[Ti+3].[H][C-]=C(C)C
InChIInChI=1S/2C5H10.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H2;1H,2-3H3;1H;/q;;-1;;+4/p-1
InChIKeyAUMUAYQUOUPGQP-UHFFFAOYSA-M
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.69
LogP ≤ 55.97
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 chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene?
The IUPAC name of chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene (CID 23228612) is chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene.
What is the SMILES notation for chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene?
The canonical SMILES for chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene is C1CCCC1.C1CCCC1.Cl[Ti+3].[H][C-]=C(C)C.
What is the InChIKey of chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene?
The InChIKey is AUMUAYQUOUPGQP-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H10.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H2;1H,2-3H3;1H;/q;;-1;;+4/p-1.
What are the key properties of chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene?
chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene has a molecular weight of 278.69 g/mol, XLogP of 5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(3+);bis(cyclopentane);2-methylprop-1-ene is sourced from PubChem (CID 23228612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).