dioxotitanium;pentane

C5H12O2Ti — CID 174250480

IUPACdioxotitanium;pentane
SMILESCCCCC.O=[Ti]=O
InChIInChI=1S/C5H12.2O.Ti/c1-3-5-4-2;;;/h3-5H2,1-2H3;;;
InChIKeyWRPXBXPFSCHVMU-UHFFFAOYSA-N
MW152.02 g/mol
LogP1.96
Rot. Bonds2

About dioxotitanium;pentane

dioxotitanium;pentane (PubChem CID 174250480) has the molecular formula C5H12O2Ti and a molecular weight of 152.02 g/mol. Its IUPAC name is dioxotitanium;pentane.

Molecular Properties

Compound Namedioxotitanium;pentane
PubChem CID174250480
Molecular FormulaC5H12O2Ti
Molecular Weight152.02 g/mol
Exact Mass152.03
IUPAC Namedioxotitanium;pentane
SMILESCCCCC.O=[Ti]=O
InChIInChI=1S/C5H12.2O.Ti/c1-3-5-4-2;;;/h3-5H2,1-2H3;;;
InChIKeyWRPXBXPFSCHVMU-UHFFFAOYSA-N
XLogP1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.02
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174721553
hexadecakis(pentane);dihydrate
CID 173099119
alumane;pentane
CID 173125985
CID 159411255
CID 159411255
pentane;propane
CID 91422342
zinc pentane
CID 19065630
pentane;rhodium
CID 173105348
dioxotitanium;propane
CID 22020571
CID 157215984
CID 157215984
pentane;stannane
CID 173279416
dioxotitanium;octadecan-1-ol
CID 174509043
methane;pentane;propane
CID 169428492

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;pentane?
The IUPAC name of dioxotitanium;pentane (CID 174250480) is dioxotitanium;pentane.
What is the SMILES notation for dioxotitanium;pentane?
The canonical SMILES for dioxotitanium;pentane is CCCCC.O=[Ti]=O.
What is the InChIKey of dioxotitanium;pentane?
The InChIKey is WRPXBXPFSCHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2O.Ti/c1-3-5-4-2;;;/h3-5H2,1-2H3;;;.
What are the key properties of dioxotitanium;pentane?
dioxotitanium;pentane has a molecular weight of 152.02 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;pentane is sourced from PubChem (CID 174250480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).