2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium

C10H22O4Ti — CID 177415115

IUPAC2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium
SMILESCC(C)CO.CC(C)OC(=O)C(C)O.[Ti]
InChIInChI=1S/C6H12O3.C4H10O.Ti/c1-4(2)9-6(8)5(3)7;1-4(2)3-5;/h4-5,7H,1-3H3;4-5H,3H2,1-2H3;
InChIKeyHNHBNNINKAREQX-UHFFFAOYSA-N
MW254.15 g/mol
LogP0.95
Rot. Bonds3

About 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium

2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium (PubChem CID 177415115) has the molecular formula C10H22O4Ti and a molecular weight of 254.15 g/mol. Its IUPAC name is 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium.

Molecular Properties

Compound Name2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium
PubChem CID177415115
Molecular FormulaC10H22O4Ti
Molecular Weight254.15 g/mol
Exact Mass254.10
IUPAC Name2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium
SMILESCC(C)CO.CC(C)OC(=O)C(C)O.[Ti]
InChIInChI=1S/C6H12O3.C4H10O.Ti/c1-4(2)9-6(8)5(3)7;1-4(2)3-5;/h4-5,7H,1-3H3;4-5H,3H2,1-2H3;
InChIKeyHNHBNNINKAREQX-UHFFFAOYSA-N
XLogP0.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium?
The IUPAC name of 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium (CID 177415115) is 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium.
What is the SMILES notation for 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium?
The canonical SMILES for 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium is CC(C)CO.CC(C)OC(=O)C(C)O.[Ti].
What is the InChIKey of 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium?
The InChIKey is HNHBNNINKAREQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H10O.Ti/c1-4(2)9-6(8)5(3)7;1-4(2)3-5;/h4-5,7H,1-3H3;4-5H,3H2,1-2H3;.
What are the key properties of 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium?
2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium has a molecular weight of 254.15 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol;propan-2-yl 2-hydroxypropanoate;titanium is sourced from PubChem (CID 177415115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).