1,1,2,2-tetramethoxypropan-1-ol;titanium

C7H16O5Ti — CID 175425593

IUPAC1,1,2,2-tetramethoxypropan-1-ol;titanium
SMILESCOC(C)(OC)C(O)(OC)OC.[Ti]
InChIInChI=1S/C7H16O5.Ti/c1-6(9-2,10-3)7(8,11-4)12-5;/h8H,1-5H3;
InChIKeyCPICRBMXYHRUFQ-UHFFFAOYSA-N
MW228.07 g/mol
LogP-0.07
Rot. Bonds5

About 1,1,2,2-tetramethoxypropan-1-ol;titanium

1,1,2,2-tetramethoxypropan-1-ol;titanium (PubChem CID 175425593) has the molecular formula C7H16O5Ti and a molecular weight of 228.07 g/mol. Its IUPAC name is 1,1,2,2-tetramethoxypropan-1-ol;titanium.

Molecular Properties

Compound Name1,1,2,2-tetramethoxypropan-1-ol;titanium
PubChem CID175425593
Molecular FormulaC7H16O5Ti
Molecular Weight228.07 g/mol
Exact Mass228.05
IUPAC Name1,1,2,2-tetramethoxypropan-1-ol;titanium
SMILESCOC(C)(OC)C(O)(OC)OC.[Ti]
InChIInChI=1S/C7H16O5.Ti/c1-6(9-2,10-3)7(8,11-4)12-5;/h8H,1-5H3;
InChIKeyCPICRBMXYHRUFQ-UHFFFAOYSA-N
XLogP-0.07
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethoxypropan-1-ol;titanium?
The IUPAC name of 1,1,2,2-tetramethoxypropan-1-ol;titanium (CID 175425593) is 1,1,2,2-tetramethoxypropan-1-ol;titanium.
What is the SMILES notation for 1,1,2,2-tetramethoxypropan-1-ol;titanium?
The canonical SMILES for 1,1,2,2-tetramethoxypropan-1-ol;titanium is COC(C)(OC)C(O)(OC)OC.[Ti].
What is the InChIKey of 1,1,2,2-tetramethoxypropan-1-ol;titanium?
The InChIKey is CPICRBMXYHRUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5.Ti/c1-6(9-2,10-3)7(8,11-4)12-5;/h8H,1-5H3;.
What are the key properties of 1,1,2,2-tetramethoxypropan-1-ol;titanium?
1,1,2,2-tetramethoxypropan-1-ol;titanium has a molecular weight of 228.07 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethoxypropan-1-ol;titanium is sourced from PubChem (CID 175425593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).