2-butoxyethanol;tris(propan-2-ol);titanium

C15H38O5Ti — CID 162429668

IUPAC2-butoxyethanol;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.CCCCOCCO.[Ti]
InChIInChI=1S/C6H14O2.3C3H8O.Ti/c1-2-3-5-8-6-4-7;3*1-3(2)4;/h7H,2-6H2,1H3;3*3-4H,1-2H3;
InChIKeyPCJRWFGXOYANAT-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.95
Rot. Bonds5

About 2-butoxyethanol;tris(propan-2-ol);titanium

2-butoxyethanol;tris(propan-2-ol);titanium (PubChem CID 162429668) has the molecular formula C15H38O5Ti and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-butoxyethanol;tris(propan-2-ol);titanium.

Molecular Properties

Compound Name2-butoxyethanol;tris(propan-2-ol);titanium
PubChem CID162429668
Molecular FormulaC15H38O5Ti
Molecular Weight346.33 g/mol
Exact Mass346.22
IUPAC Name2-butoxyethanol;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.CCCCOCCO.[Ti]
InChIInChI=1S/C6H14O2.3C3H8O.Ti/c1-2-3-5-8-6-4-7;3*1-3(2)4;/h7H,2-6H2,1H3;3*3-4H,1-2H3;
InChIKeyPCJRWFGXOYANAT-UHFFFAOYSA-N
XLogP1.95
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ol;2-butoxyethanol
CID 118377400
2-butoxyethanol
CID 8133
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
CID 159075301
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
butane-2,3-diol;1-butoxybutane
CID 87169993
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;tris(propan-2-ol);titanium?
The IUPAC name of 2-butoxyethanol;tris(propan-2-ol);titanium (CID 162429668) is 2-butoxyethanol;tris(propan-2-ol);titanium.
What is the SMILES notation for 2-butoxyethanol;tris(propan-2-ol);titanium?
The canonical SMILES for 2-butoxyethanol;tris(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(C)O.CCCCOCCO.[Ti].
What is the InChIKey of 2-butoxyethanol;tris(propan-2-ol);titanium?
The InChIKey is PCJRWFGXOYANAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.3C3H8O.Ti/c1-2-3-5-8-6-4-7;3*1-3(2)4;/h7H,2-6H2,1H3;3*3-4H,1-2H3;.
What are the key properties of 2-butoxyethanol;tris(propan-2-ol);titanium?
2-butoxyethanol;tris(propan-2-ol);titanium has a molecular weight of 346.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;tris(propan-2-ol);titanium is sourced from PubChem (CID 162429668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).