cyclopentane;dioxotitanium

C5H10O2Ti — CID 174741747

IUPACcyclopentane;dioxotitanium
SMILESC1CCCC1.O=[Ti]=O
InChIInChI=1S/C5H10.2O.Ti/c1-2-4-5-3-1;;;/h1-5H2;;;
InChIKeyKHVPYRDQWUYAJG-UHFFFAOYSA-N
MW150.00 g/mol
LogP1.71
Rot. Bonds

About cyclopentane;dioxotitanium

cyclopentane;dioxotitanium (PubChem CID 174741747) has the molecular formula C5H10O2Ti and a molecular weight of 150.00 g/mol. Its IUPAC name is cyclopentane;dioxotitanium.

Molecular Properties

Compound Namecyclopentane;dioxotitanium
PubChem CID174741747
Molecular FormulaC5H10O2Ti
Molecular Weight150.00 g/mol
Exact Mass150.02
IUPAC Namecyclopentane;dioxotitanium
SMILESC1CCCC1.O=[Ti]=O
InChIInChI=1S/C5H10.2O.Ti/c1-2-4-5-3-1;;;/h1-5H2;;;
InChIKeyKHVPYRDQWUYAJG-UHFFFAOYSA-N
XLogP1.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.00
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;dioxotitanium?
The IUPAC name of cyclopentane;dioxotitanium (CID 174741747) is cyclopentane;dioxotitanium.
What is the SMILES notation for cyclopentane;dioxotitanium?
The canonical SMILES for cyclopentane;dioxotitanium is C1CCCC1.O=[Ti]=O.
What is the InChIKey of cyclopentane;dioxotitanium?
The InChIKey is KHVPYRDQWUYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.2O.Ti/c1-2-4-5-3-1;;;/h1-5H2;;;.
What are the key properties of cyclopentane;dioxotitanium?
cyclopentane;dioxotitanium has a molecular weight of 150.00 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;dioxotitanium is sourced from PubChem (CID 174741747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).