CID 174824034

C17H23SiTi — CID 174824034

IUPAC—
SMILESC=CC=C.CC1=C(C)C([Si](C)C)c2ccccc21.[Ti]
InChIInChI=1S/C13H17Si.C4H6.Ti/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-3-4-2;/h5-8,13H,1-4H3;3-4H,1-2H2;
InChIKeyYUZUXCYTDBOLOR-UHFFFAOYSA-N
MW303.32 g/mol
LogP5.23
Rot. Bonds2

About CID 174824034

CID 174824034 (PubChem CID 174824034) has the molecular formula C17H23SiTi and a molecular weight of 303.32 g/mol.

Molecular Properties

Compound NameCID 174824034
PubChem CID174824034
Molecular FormulaC17H23SiTi
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name—
SMILESC=CC=C.CC1=C(C)C([Si](C)C)c2ccccc21.[Ti]
InChIInChI=1S/C13H17Si.C4H6.Ti/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-3-4-2;/h5-8,13H,1-4H3;3-4H,1-2H2;
InChIKeyYUZUXCYTDBOLOR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.32
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;penta-1,3-diene;titanium
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buta-1,3-diene;(2,3-dimethyl-1H-inden-1-yl)-dimethylsilane;2,2-dimethylpropanamide
CID 160643924
1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene
CID 144847978
(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748
ethane;propane;1,2,3-trimethyl-1H-indene
CID 142448762
CID 173305494
CID 173305494
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
1-(2,3-dimethyl-1H-inden-1-yl)anthracene
CID 172691633
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 144612902
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
3-[(1Z)-buta-1,3-dienyl]-1,2,4-trimethyl-1H-isoquinoline;ethane;fluoromethane
CID 142863506
(2Z)-1-ethyl-3-methylidene-2-prop-2-enylidene-1H-indene
CID 144613393

Frequently Asked Questions

What is the IUPAC name of CID 174824034?
The IUPAC name of CID 174824034 (CID 174824034) is not available.
What is the SMILES notation for CID 174824034?
The canonical SMILES for CID 174824034 is C=CC=C.CC1=C(C)C([Si](C)C)c2ccccc21.[Ti].
What is the InChIKey of CID 174824034?
The InChIKey is YUZUXCYTDBOLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Si.C4H6.Ti/c1-9-10(2)13(14(3)4)12-8-6-5-7-11(9)12;1-3-4-2;/h5-8,13H,1-4H3;3-4H,1-2H2;.
What are the key properties of CID 174824034?
CID 174824034 has a molecular weight of 303.32 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174824034 is sourced from PubChem (CID 174824034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).