tetrakis(3-methoxybutan-2-ol);titanium

C20H48O8Ti — CID 87400575

IUPACtetrakis(3-methoxybutan-2-ol);titanium
SMILESCOC(C)C(C)O.COC(C)C(C)O.COC(C)C(C)O.COC(C)C(C)O.[Ti]
InChIInChI=1S/4C5H12O2.Ti/c4*1-4(6)5(2)7-3;/h4*4-6H,1-3H3;
InChIKeyONCUGCQLDRUEAX-UHFFFAOYSA-N
MW464.46 g/mol
LogP1.61
Rot. Bonds8

About tetrakis(3-methoxybutan-2-ol);titanium

tetrakis(3-methoxybutan-2-ol);titanium (PubChem CID 87400575) has the molecular formula C20H48O8Ti and a molecular weight of 464.46 g/mol. Its IUPAC name is tetrakis(3-methoxybutan-2-ol);titanium.

Molecular Properties

Compound Nametetrakis(3-methoxybutan-2-ol);titanium
PubChem CID87400575
Molecular FormulaC20H48O8Ti
Molecular Weight464.46 g/mol
Exact Mass464.28
IUPAC Nametetrakis(3-methoxybutan-2-ol);titanium
SMILESCOC(C)C(C)O.COC(C)C(C)O.COC(C)C(C)O.COC(C)C(C)O.[Ti]
InChIInChI=1S/4C5H12O2.Ti/c4*1-4(6)5(2)7-3;/h4*4-6H,1-3H3;
InChIKeyONCUGCQLDRUEAX-UHFFFAOYSA-N
XLogP1.61
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

deuterium monohydride;3-methoxybutan-2-ol;phosphane
CID 157416424
3-hydroxy-4-methoxypentan-2-one
CID 100919894
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
[(2R,3S)-3-methoxybutan-2-yl] [(3S)-3-[(3R)-3-[(3S)-3-methoxybutan-2-yl]oxycarbonyloxybutan-2-yl]oxycarbonyloxybutan-2-yl] carbonate
CID 118920598
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
ethane;1-methoxyethanol
CID 157348595
2-ethyl-3-methoxybutanoic acid
CID 54291806
4-hydroxy-3-methoxy-2-methylidenepentanoic acid
CID 88919690
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230
5-hydroxy-6-methoxyheptan-3-one
CID 22372350
2,3,4-trimethoxypentane
CID 20754115

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-methoxybutan-2-ol);titanium?
The IUPAC name of tetrakis(3-methoxybutan-2-ol);titanium (CID 87400575) is tetrakis(3-methoxybutan-2-ol);titanium.
What is the SMILES notation for tetrakis(3-methoxybutan-2-ol);titanium?
The canonical SMILES for tetrakis(3-methoxybutan-2-ol);titanium is COC(C)C(C)O.COC(C)C(C)O.COC(C)C(C)O.COC(C)C(C)O.[Ti].
What is the InChIKey of tetrakis(3-methoxybutan-2-ol);titanium?
The InChIKey is ONCUGCQLDRUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H12O2.Ti/c4*1-4(6)5(2)7-3;/h4*4-6H,1-3H3;.
What are the key properties of tetrakis(3-methoxybutan-2-ol);titanium?
tetrakis(3-methoxybutan-2-ol);titanium has a molecular weight of 464.46 g/mol, XLogP of 1.61, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-methoxybutan-2-ol);titanium is sourced from PubChem (CID 87400575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).