CID 173068855

C15H24Cl2OSiTi- — CID 173068855

IUPAC—
SMILESC[SiH]C.Cc1cc(C)cc(O)c1.Cl.Cl.[C-]1=CC=CC1.[Ti]
InChIInChI=1S/C8H10O.C5H5.C2H7Si.2ClH.Ti/c1-6-3-7(2)5-8(9)4-6;1-2-4-5-3-1;1-3-2;;;/h3-5,9H,1-2H3;1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;
InChIKeyDXNQGEMHOFUSJJ-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.67
Rot. Bonds

About CID 173068855

CID 173068855 (PubChem CID 173068855) has the molecular formula C15H24Cl2OSiTi- and a molecular weight of 367.22 g/mol.

Molecular Properties

Compound NameCID 173068855
PubChem CID173068855
Molecular FormulaC15H24Cl2OSiTi-
Molecular Weight367.22 g/mol
Exact Mass366.05
IUPAC Name—
SMILESC[SiH]C.Cc1cc(C)cc(O)c1.Cl.Cl.[C-]1=CC=CC1.[Ti]
InChIInChI=1S/C8H10O.C5H5.C2H7Si.2ClH.Ti/c1-6-3-7(2)5-8(9)4-6;1-2-4-5-3-1;1-3-2;;;/h3-5,9H,1-2H3;1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;
InChIKeyDXNQGEMHOFUSJJ-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.67
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

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Frequently Asked Questions

What is the IUPAC name of CID 173068855?
The IUPAC name of CID 173068855 (CID 173068855) is not available.
What is the SMILES notation for CID 173068855?
The canonical SMILES for CID 173068855 is C[SiH]C.Cc1cc(C)cc(O)c1.Cl.Cl.[C-]1=CC=CC1.[Ti].
What is the InChIKey of CID 173068855?
The InChIKey is DXNQGEMHOFUSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C5H5.C2H7Si.2ClH.Ti/c1-6-3-7(2)5-8(9)4-6;1-2-4-5-3-1;1-3-2;;;/h3-5,9H,1-2H3;1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;.
What are the key properties of CID 173068855?
CID 173068855 has a molecular weight of 367.22 g/mol, XLogP of 4.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173068855 is sourced from PubChem (CID 173068855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).