hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate

C12H34O4SiTi — CID 140942561

IUPAChydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate
SMILESCC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.O.O.[Ti]
InChIInChI=1S/C9H22OSi.C3H8O.2H2O.Ti/c1-7(2)11(10,8(3)4)9(5)6;1-3(2)4;;;/h7-10H,1-6H3;3-4H,1-2H3;2*1H2;
InChIKeyIYYVCBFMWCINBK-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.89
Rot. Bonds3

About hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate

hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate (PubChem CID 140942561) has the molecular formula C12H34O4SiTi and a molecular weight of 318.35 g/mol. Its IUPAC name is hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate.

Molecular Properties

Compound Namehydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate
PubChem CID140942561
Molecular FormulaC12H34O4SiTi
Molecular Weight318.35 g/mol
Exact Mass318.17
IUPAC Namehydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate
SMILESCC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.O.O.[Ti]
InChIInChI=1S/C9H22OSi.C3H8O.2H2O.Ti/c1-7(2)11(10,8(3)4)9(5)6;1-3(2)4;;;/h7-10H,1-6H3;3-4H,1-2H3;2*1H2;
InChIKeyIYYVCBFMWCINBK-UHFFFAOYSA-N
XLogP1.89
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hafnium;bis(hydroxy-tri(propan-2-yl)silane);bis(propan-2-ol)
CID 139997734
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
tris(propan-2-ol);titanium;hydrate
CID 22645817
propan-2-ol;titanium
CID 25200171
ethanol;hydroxy-tri(propan-2-yl)silane;zirconium
CID 140942568
hydroxy(trimethyl)silane;propan-2-ol
CID 172704934
bis(propan-2-ol);titanium;hydrochloride
CID 87233898
CID 175756453
CID 175756453
propan-2-ol;titanium;hydroiodide
CID 175242007
propan-2-ol;dihydrate;trihydrochloride
CID 172856873
propan-2-ol;vanadium;hydrate;dihydrochloride
CID 171375749
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410

Frequently Asked Questions

What is the IUPAC name of hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate?
The IUPAC name of hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate (CID 140942561) is hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate.
What is the SMILES notation for hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate?
The canonical SMILES for hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate is CC(C)O.CC(C)[Si](O)(C(C)C)C(C)C.O.O.[Ti].
What is the InChIKey of hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate?
The InChIKey is IYYVCBFMWCINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi.C3H8O.2H2O.Ti/c1-7(2)11(10,8(3)4)9(5)6;1-3(2)4;;;/h7-10H,1-6H3;3-4H,1-2H3;2*1H2;.
What are the key properties of hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate?
hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate has a molecular weight of 318.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tri(propan-2-yl)silane;propan-2-ol;titanium;dihydrate is sourced from PubChem (CID 140942561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).