bis(2-ethoxyethanol);oxotitanium(2+);propane

C14H34O5Ti — CID 88698682

IUPACbis(2-ethoxyethanol);oxotitanium(2+);propane
SMILESCCOCCO.CCOCCO.C[CH-]C.C[CH-]C.O=[Ti+2]
InChIInChI=1S/2C4H10O2.2C3H7.O.Ti/c2*1-2-6-4-3-5;2*1-3-2;;/h2*5H,2-4H2,1H3;2*3H,1-2H3;;/q;;2*-1;;+2
InChIKeyBWOYNOARRPHROO-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.37
Rot. Bonds6

About bis(2-ethoxyethanol);oxotitanium(2+);propane

bis(2-ethoxyethanol);oxotitanium(2+);propane (PubChem CID 88698682) has the molecular formula C14H34O5Ti and a molecular weight of 330.29 g/mol. Its IUPAC name is bis(2-ethoxyethanol);oxotitanium(2+);propane.

Molecular Properties

Compound Namebis(2-ethoxyethanol);oxotitanium(2+);propane
PubChem CID88698682
Molecular FormulaC14H34O5Ti
Molecular Weight330.29 g/mol
Exact Mass330.19
IUPAC Namebis(2-ethoxyethanol);oxotitanium(2+);propane
SMILESCCOCCO.CCOCCO.C[CH-]C.C[CH-]C.O=[Ti+2]
InChIInChI=1S/2C4H10O2.2C3H7.O.Ti/c2*1-2-6-4-3-5;2*1-3-2;;/h2*5H,2-4H2,1H3;2*3H,1-2H3;;/q;;2*-1;;+2
InChIKeyBWOYNOARRPHROO-UHFFFAOYSA-N
XLogP2.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(2-ethoxyethanol);oxotitanium(2+);propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;bis(2-ethoxyethanol);oxotitanium(2+)
CID 88817270
2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;sulfuric acid
CID 87749123
disodium;azanide;2-ethoxyethanol;hydride
CID 173429143
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
2-ethoxyethanol;propanoic acid
CID 71354268
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
chloroform;2-ethoxyethanol
CID 118659201
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethanol);oxotitanium(2+);propane?
The IUPAC name of bis(2-ethoxyethanol);oxotitanium(2+);propane (CID 88698682) is bis(2-ethoxyethanol);oxotitanium(2+);propane.
What is the SMILES notation for bis(2-ethoxyethanol);oxotitanium(2+);propane?
The canonical SMILES for bis(2-ethoxyethanol);oxotitanium(2+);propane is CCOCCO.CCOCCO.C[CH-]C.C[CH-]C.O=[Ti+2].
What is the InChIKey of bis(2-ethoxyethanol);oxotitanium(2+);propane?
The InChIKey is BWOYNOARRPHROO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2.2C3H7.O.Ti/c2*1-2-6-4-3-5;2*1-3-2;;/h2*5H,2-4H2,1H3;2*3H,1-2H3;;/q;;2*-1;;+2.
What are the key properties of bis(2-ethoxyethanol);oxotitanium(2+);propane?
bis(2-ethoxyethanol);oxotitanium(2+);propane has a molecular weight of 330.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethanol);oxotitanium(2+);propane is sourced from PubChem (CID 88698682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).