dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol

C9H14Cl2OTi — CID 154427160

IUPACdichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol
SMILESCC1=CC(C)(CO)C(C)=C1.Cl[Ti]Cl
InChIInChI=1S/C9H14O.2ClH.Ti/c1-7-4-8(2)9(3,5-7)6-10;;;/h4-5,10H,6H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyZZYCKQFUPGNAFQ-UHFFFAOYSA-L
MW256.98 g/mol
LogP3.27
Rot. Bonds1

About dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol

dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol (PubChem CID 154427160) has the molecular formula C9H14Cl2OTi and a molecular weight of 256.98 g/mol. Its IUPAC name is dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Namedichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol
PubChem CID154427160
Molecular FormulaC9H14Cl2OTi
Molecular Weight256.98 g/mol
Exact Mass255.99
IUPAC Namedichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol
SMILESCC1=CC(C)(CO)C(C)=C1.Cl[Ti]Cl
InChIInChI=1S/C9H14O.2ClH.Ti/c1-7-4-8(2)9(3,5-7)6-10;;;/h4-5,10H,6H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyZZYCKQFUPGNAFQ-UHFFFAOYSA-L
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.98
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol?
The IUPAC name of dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol (CID 154427160) is dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol.
What is the SMILES notation for dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol?
The canonical SMILES for dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol is CC1=CC(C)(CO)C(C)=C1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol?
The InChIKey is ZZYCKQFUPGNAFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14O.2ClH.Ti/c1-7-4-8(2)9(3,5-7)6-10;;;/h4-5,10H,6H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol?
dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol has a molecular weight of 256.98 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;(1,2,4-trimethylcyclopenta-2,4-dien-1-yl)methanol is sourced from PubChem (CID 154427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).