carbanide;cyclopentane;tris(propan-2-ol);titanium

C15H37O3Ti- — CID 162281882

IUPACcarbanide;cyclopentane;tris(propan-2-ol);titanium
SMILESC1CCCC1.CC(C)O.CC(C)O.CC(C)O.[CH3-].[Ti]
InChIInChI=1S/C5H10.3C3H8O.CH3.Ti/c1-2-4-5-3-1;3*1-3(2)4;;/h1-5H2;3*3-4H,1-2H3;1H3;/q;;;;-1;
InChIKeyOHQRSDPBRCFTBN-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.56
Rot. Bonds

About carbanide;cyclopentane;tris(propan-2-ol);titanium

carbanide;cyclopentane;tris(propan-2-ol);titanium (PubChem CID 162281882) has the molecular formula C15H37O3Ti- and a molecular weight of 313.33 g/mol. Its IUPAC name is carbanide;cyclopentane;tris(propan-2-ol);titanium.

Molecular Properties

Compound Namecarbanide;cyclopentane;tris(propan-2-ol);titanium
PubChem CID162281882
Molecular FormulaC15H37O3Ti-
Molecular Weight313.33 g/mol
Exact Mass313.22
IUPAC Namecarbanide;cyclopentane;tris(propan-2-ol);titanium
SMILESC1CCCC1.CC(C)O.CC(C)O.CC(C)O.[CH3-].[Ti]
InChIInChI=1S/C5H10.3C3H8O.CH3.Ti/c1-2-4-5-3-1;3*1-3(2)4;;/h1-5H2;3*3-4H,1-2H3;1H3;/q;;;;-1;
InChIKeyOHQRSDPBRCFTBN-UHFFFAOYSA-N
XLogP3.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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tris(propan-2-ol);titanium;hydrate
CID 22645817
propan-2-ol;titanium;hydroiodide
CID 175242007
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CID 88685410
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tetrakis(propan-2-ol);samarium
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CID 131857540
CID 131857540
aluminum propan-2-ol
CID 18462529
CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;tris(propan-2-ol);titanium?
The IUPAC name of carbanide;cyclopentane;tris(propan-2-ol);titanium (CID 162281882) is carbanide;cyclopentane;tris(propan-2-ol);titanium.
What is the SMILES notation for carbanide;cyclopentane;tris(propan-2-ol);titanium?
The canonical SMILES for carbanide;cyclopentane;tris(propan-2-ol);titanium is C1CCCC1.CC(C)O.CC(C)O.CC(C)O.[CH3-].[Ti].
What is the InChIKey of carbanide;cyclopentane;tris(propan-2-ol);titanium?
The InChIKey is OHQRSDPBRCFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.3C3H8O.CH3.Ti/c1-2-4-5-3-1;3*1-3(2)4;;/h1-5H2;3*3-4H,1-2H3;1H3;/q;;;;-1;.
What are the key properties of carbanide;cyclopentane;tris(propan-2-ol);titanium?
carbanide;cyclopentane;tris(propan-2-ol);titanium has a molecular weight of 313.33 g/mol, XLogP of 3.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;tris(propan-2-ol);titanium is sourced from PubChem (CID 162281882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).