butoxymethanol;hafnium

C5H12HfO2 — CID 175007375

IUPACbutoxymethanol;hafnium
SMILESCCCCOCO.[Hf]
InChIInChI=1S/C5H12O2.Hf/c1-2-3-4-7-5-6;/h6H,2-5H2,1H3;
InChIKeyOITQYMVFWDMKJQ-UHFFFAOYSA-N
MW282.64 g/mol
LogP0.75
Rot. Bonds4

About butoxymethanol;hafnium

butoxymethanol;hafnium (PubChem CID 175007375) has the molecular formula C5H12HfO2 and a molecular weight of 282.64 g/mol. Its IUPAC name is butoxymethanol;hafnium.

Molecular Properties

Compound Namebutoxymethanol;hafnium
PubChem CID175007375
Molecular FormulaC5H12HfO2
Molecular Weight282.64 g/mol
Exact Mass284.03
IUPAC Namebutoxymethanol;hafnium
SMILESCCCCOCO.[Hf]
InChIInChI=1S/C5H12O2.Hf/c1-2-3-4-7-5-6;/h6H,2-5H2,1H3;
InChIKeyOITQYMVFWDMKJQ-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

butoxymethanol;ethane
CID 145241108
butoxymethanol;titanium
CID 150795617
2-butoxyethoxymethanol
CID 3019577
butan-1-ol;1-butoxybutane
CID 19700093
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
2-butoxyethanol
CID 8133
ethane-1,2-diol;1-ethoxybutane
CID 23504299
17-(hydroxymethoxy)heptadecan-7-ol
CID 122659082
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
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

Frequently Asked Questions

What is the IUPAC name of butoxymethanol;hafnium?
The IUPAC name of butoxymethanol;hafnium (CID 175007375) is butoxymethanol;hafnium.
What is the SMILES notation for butoxymethanol;hafnium?
The canonical SMILES for butoxymethanol;hafnium is CCCCOCO.[Hf].
What is the InChIKey of butoxymethanol;hafnium?
The InChIKey is OITQYMVFWDMKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.Hf/c1-2-3-4-7-5-6;/h6H,2-5H2,1H3;.
What are the key properties of butoxymethanol;hafnium?
butoxymethanol;hafnium has a molecular weight of 282.64 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethanol;hafnium is sourced from PubChem (CID 175007375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).