3H-inden-1-ol;tris(propan-2-ol);titanium

C18H32O4Ti — CID 10338320

IUPAC3H-inden-1-ol;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.OC1=CCc2ccccc21.[Ti]
InChIInChI=1S/C9H8O.3C3H8O.Ti/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-3(2)4;/h1-4,6,10H,5H2;3*3-4H,1-2H3;
InChIKeyCRMVCWVTPNEFEZ-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.30
Rot. Bonds

About 3H-inden-1-ol;tris(propan-2-ol);titanium

3H-inden-1-ol;tris(propan-2-ol);titanium (PubChem CID 10338320) has the molecular formula C18H32O4Ti and a molecular weight of 360.32 g/mol. Its IUPAC name is 3H-inden-1-ol;tris(propan-2-ol);titanium.

Molecular Properties

Compound Name3H-inden-1-ol;tris(propan-2-ol);titanium
PubChem CID10338320
Molecular FormulaC18H32O4Ti
Molecular Weight360.32 g/mol
Exact Mass360.18
IUPAC Name3H-inden-1-ol;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.OC1=CCc2ccccc21.[Ti]
InChIInChI=1S/C9H8O.3C3H8O.Ti/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-3(2)4;/h1-4,6,10H,5H2;3*3-4H,1-2H3;
InChIKeyCRMVCWVTPNEFEZ-UHFFFAOYSA-N
XLogP3.30
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-inden-1-ol;tris(propan-2-ol);titanium?
The IUPAC name of 3H-inden-1-ol;tris(propan-2-ol);titanium (CID 10338320) is 3H-inden-1-ol;tris(propan-2-ol);titanium.
What is the SMILES notation for 3H-inden-1-ol;tris(propan-2-ol);titanium?
The canonical SMILES for 3H-inden-1-ol;tris(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(C)O.OC1=CCc2ccccc21.[Ti].
What is the InChIKey of 3H-inden-1-ol;tris(propan-2-ol);titanium?
The InChIKey is CRMVCWVTPNEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.3C3H8O.Ti/c10-9-6-5-7-3-1-2-4-8(7)9;3*1-3(2)4;/h1-4,6,10H,5H2;3*3-4H,1-2H3;.
What are the key properties of 3H-inden-1-ol;tris(propan-2-ol);titanium?
3H-inden-1-ol;tris(propan-2-ol);titanium has a molecular weight of 360.32 g/mol, XLogP of 3.30, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-inden-1-ol;tris(propan-2-ol);titanium is sourced from PubChem (CID 10338320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).