CID 134902858

C31H44SiTi — CID 134902858

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)/[C]=[C]/c1ccccc1.[Ti]
InChIInChI=1S/C11H14Si.2C10H15.Ti/c1-12(2,3)10-9-11-7-5-4-6-8-11;2*1-6-7(2)9(4)10(5)8(6)3;/h4-8H,1-3H3;2*1-5H3;
InChIKeyLOIMZIACHRGXKR-UHFFFAOYSA-N
MW492.65 g/mol
LogP9.02
Rot. Bonds2

About CID 134902858

CID 134902858 (PubChem CID 134902858) has the molecular formula C31H44SiTi and a molecular weight of 492.65 g/mol.

Molecular Properties

Compound NameCID 134902858
PubChem CID134902858
Molecular FormulaC31H44SiTi
Molecular Weight492.65 g/mol
Exact Mass492.27
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)/[C]=[C]/c1ccccc1.[Ti]
InChIInChI=1S/C11H14Si.2C10H15.Ti/c1-12(2,3)10-9-11-7-5-4-6-8-11;2*1-6-7(2)9(4)10(5)8(6)3;/h4-8H,1-3H3;2*1-5H3;
InChIKeyLOIMZIACHRGXKR-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134902858?
The IUPAC name of CID 134902858 (CID 134902858) is not available.
What is the SMILES notation for CID 134902858?
The canonical SMILES for CID 134902858 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)/[C]=[C]/c1ccccc1.[Ti].
What is the InChIKey of CID 134902858?
The InChIKey is LOIMZIACHRGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Si.2C10H15.Ti/c1-12(2,3)10-9-11-7-5-4-6-8-11;2*1-6-7(2)9(4)10(5)8(6)3;/h4-8H,1-3H3;2*1-5H3;.
What are the key properties of CID 134902858?
CID 134902858 has a molecular weight of 492.65 g/mol, XLogP of 9.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902858 is sourced from PubChem (CID 134902858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).