CID 173068187

C24H44Cl2OSi2Ti- — CID 173068187

IUPAC—
SMILESCC(C)(C)c1cc(O)cc(C(C)(C)C)c1.C[SiH]C.C[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C14H22O.C8H13Si.C2H7Si.2ClH.Ti/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h7-9,15H,1-6H3;4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q;-1;;;;
InChIKeyCGWVJUUISSMUOG-UHFFFAOYSA-N
MW523.56 g/mol
LogP7.90
Rot. Bonds1

About CID 173068187

CID 173068187 (PubChem CID 173068187) has the molecular formula C24H44Cl2OSi2Ti- and a molecular weight of 523.56 g/mol.

Molecular Properties

Compound NameCID 173068187
PubChem CID173068187
Molecular FormulaC24H44Cl2OSi2Ti-
Molecular Weight523.56 g/mol
Exact Mass522.18
IUPAC Name—
SMILESCC(C)(C)c1cc(O)cc(C(C)(C)C)c1.C[SiH]C.C[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C14H22O.C8H13Si.C2H7Si.2ClH.Ti/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h7-9,15H,1-6H3;4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q;-1;;;;
InChIKeyCGWVJUUISSMUOG-UHFFFAOYSA-N
XLogP7.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.56
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzhydrylidenetitanium(1+);3-tert-butylphenol;cyclopenta-1,4-dien-1-yl(trimethyl)silane;dihydrochloride
CID 87146644
cyclopenta-1,4-dien-1-yl-tris(3,5-ditert-butylphenyl)silane;titanium;trihydrochloride
CID 173474981
cyclopenta-1,4-dien-1-yl(trimethyl)silane;ruthenium(1+)
CID 174573156
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);nickel(2+)
CID 140556660
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride
CID 57351468
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);hydride;samarium
CID 173206877
cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol
CID 87496612
CID 173210739
CID 173210739
cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride
CID 22221896
tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride
CID 87316415
2-tert-butylcyclopenta-1,3-diene;3-tert-butyl-5-methylphenol;pentan-3-ylidenetitanium(1+);dihydrochloride
CID 87557048
3-tert-butyl-5-chlorophenol;2-tert-butylcyclopenta-1,3-diene;propan-2-ylidenetitanium(1+);dichloride
CID 22221882

Frequently Asked Questions

What is the IUPAC name of CID 173068187?
The IUPAC name of CID 173068187 (CID 173068187) is not available.
What is the SMILES notation for CID 173068187?
The canonical SMILES for CID 173068187 is CC(C)(C)c1cc(O)cc(C(C)(C)C)c1.C[SiH]C.C[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti].
What is the InChIKey of CID 173068187?
The InChIKey is CGWVJUUISSMUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C8H13Si.C2H7Si.2ClH.Ti/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h7-9,15H,1-6H3;4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q;-1;;;;.
What are the key properties of CID 173068187?
CID 173068187 has a molecular weight of 523.56 g/mol, XLogP of 7.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173068187 is sourced from PubChem (CID 173068187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).