hafnium;2,2,2-tributoxyethanol

C14H30HfO4 — CID 175773541

IUPAChafnium;2,2,2-tributoxyethanol
SMILESCCCCOC(CO)(OCCCC)OCCCC.[Hf]
InChIInChI=1S/C14H30O4.Hf/c1-4-7-10-16-14(13-15,17-11-8-5-2)18-12-9-6-3;/h15H,4-13H2,1-3H3;
InChIKeyISTHQPXRXXLLLZ-UHFFFAOYSA-N
MW440.88 g/mol
LogP3.08
Rot. Bonds13

About hafnium;2,2,2-tributoxyethanol

hafnium;2,2,2-tributoxyethanol (PubChem CID 175773541) has the molecular formula C14H30HfO4 and a molecular weight of 440.88 g/mol. Its IUPAC name is hafnium;2,2,2-tributoxyethanol.

Molecular Properties

Compound Namehafnium;2,2,2-tributoxyethanol
PubChem CID175773541
Molecular FormulaC14H30HfO4
Molecular Weight440.88 g/mol
Exact Mass442.16
IUPAC Namehafnium;2,2,2-tributoxyethanol
SMILESCCCCOC(CO)(OCCCC)OCCCC.[Hf]
InChIInChI=1S/C14H30O4.Hf/c1-4-7-10-16-14(13-15,17-11-8-5-2)18-12-9-6-3;/h15H,4-13H2,1-3H3;
InChIKeyISTHQPXRXXLLLZ-UHFFFAOYSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-2-pentoxyethanol
CID 174807386
2,2-dibutoxypropan-1-ol
CID 145497919
carbanide;2,2-diheptoxypropan-1-ol;yttrium
CID 58517147
2-hexoxypropane-1,2-diol
CID 87299743
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
butoxymethanol;hafnium
CID 175007375
tris(2,2,2-tributoxyethyl) phosphate
CID 168864566
(2,2-dibutoxy-2-methoxyethoxy)silane
CID 123763254
2-decoxy-2-methylbutan-1-ol
CID 152517276
1,1-dibutoxypropane-1,2,3-triol
CID 91123285
hafnium;1-hydroperoxybutane
CID 159843277
5,5-dibutoxynonane
CID 89440038

Frequently Asked Questions

What is the IUPAC name of hafnium;2,2,2-tributoxyethanol?
The IUPAC name of hafnium;2,2,2-tributoxyethanol (CID 175773541) is hafnium;2,2,2-tributoxyethanol.
What is the SMILES notation for hafnium;2,2,2-tributoxyethanol?
The canonical SMILES for hafnium;2,2,2-tributoxyethanol is CCCCOC(CO)(OCCCC)OCCCC.[Hf].
What is the InChIKey of hafnium;2,2,2-tributoxyethanol?
The InChIKey is ISTHQPXRXXLLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4.Hf/c1-4-7-10-16-14(13-15,17-11-8-5-2)18-12-9-6-3;/h15H,4-13H2,1-3H3;.
What are the key properties of hafnium;2,2,2-tributoxyethanol?
hafnium;2,2,2-tributoxyethanol has a molecular weight of 440.88 g/mol, XLogP of 3.08, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2,2,2-tributoxyethanol is sourced from PubChem (CID 175773541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).