butoxymethanol;titanium

C5H12O2Ti — CID 150795617

IUPACbutoxymethanol;titanium
SMILESCCCCOCO.[Ti]
InChIInChI=1S/C5H12O2.Ti/c1-2-3-4-7-5-6;/h6H,2-5H2,1H3;
InChIKeyOCNISDNFKGDWKL-UHFFFAOYSA-N
MW152.02 g/mol
LogP0.75
Rot. Bonds4

About butoxymethanol;titanium

butoxymethanol;titanium (PubChem CID 150795617) has the molecular formula C5H12O2Ti and a molecular weight of 152.02 g/mol. Its IUPAC name is butoxymethanol;titanium.

Molecular Properties

Compound Namebutoxymethanol;titanium
PubChem CID150795617
Molecular FormulaC5H12O2Ti
Molecular Weight152.02 g/mol
Exact Mass152.03
IUPAC Namebutoxymethanol;titanium
SMILESCCCCOCO.[Ti]
InChIInChI=1S/C5H12O2.Ti/c1-2-3-4-7-5-6;/h6H,2-5H2,1H3;
InChIKeyOCNISDNFKGDWKL-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 ≤ 500152.02
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;hafnium
CID 175007375
butoxymethanol;ethane
CID 145241108
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-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
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

Frequently Asked Questions

What is the IUPAC name of butoxymethanol;titanium?
The IUPAC name of butoxymethanol;titanium (CID 150795617) is butoxymethanol;titanium.
What is the SMILES notation for butoxymethanol;titanium?
The canonical SMILES for butoxymethanol;titanium is CCCCOCO.[Ti].
What is the InChIKey of butoxymethanol;titanium?
The InChIKey is OCNISDNFKGDWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.Ti/c1-2-3-4-7-5-6;/h6H,2-5H2,1H3;.
What are the key properties of butoxymethanol;titanium?
butoxymethanol;titanium has a molecular weight of 152.02 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;titanium is sourced from PubChem (CID 150795617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).