CID 173208778

C16H28Cl2OSiTi — CID 173208778

IUPAC—
SMILESCC1=[C-]CC=C1.Cc1cc(C)cc(O)c1.Cl.Cl.[CH3-].[CH3-].[SiH3].[Ti+3]
InChIInChI=1S/C8H10O.C6H7.2CH3.2ClH.H3Si.Ti/c1-6-3-7(2)5-8(9)4-6;1-6-4-2-3-5-6;;;;;;/h3-5,9H,1-2H3;2,4H,3H2,1H3;2*1H3;2*1H;1H3;/q;3*-1;;;;+3
InChIKeyNHBUFCFIDMJWKI-UHFFFAOYSA-N
MW383.26 g/mol
LogP4.26
Rot. Bonds

About CID 173208778

CID 173208778 (PubChem CID 173208778) has the molecular formula C16H28Cl2OSiTi and a molecular weight of 383.26 g/mol.

Molecular Properties

Compound NameCID 173208778
PubChem CID173208778
Molecular FormulaC16H28Cl2OSiTi
Molecular Weight383.26 g/mol
Exact Mass382.08
IUPAC Name—
SMILESCC1=[C-]CC=C1.Cc1cc(C)cc(O)c1.Cl.Cl.[CH3-].[CH3-].[SiH3].[Ti+3]
InChIInChI=1S/C8H10O.C6H7.2CH3.2ClH.H3Si.Ti/c1-6-3-7(2)5-8(9)4-6;1-6-4-2-3-5-6;;;;;;/h3-5,9H,1-2H3;2,4H,3H2,1H3;2*1H3;2*1H;1H3;/q;3*-1;;;;+3
InChIKeyNHBUFCFIDMJWKI-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 54.26
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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CID 173304853
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Frequently Asked Questions

What is the IUPAC name of CID 173208778?
The IUPAC name of CID 173208778 (CID 173208778) is not available.
What is the SMILES notation for CID 173208778?
The canonical SMILES for CID 173208778 is CC1=[C-]CC=C1.Cc1cc(C)cc(O)c1.Cl.Cl.[CH3-].[CH3-].[SiH3].[Ti+3].
What is the InChIKey of CID 173208778?
The InChIKey is NHBUFCFIDMJWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H7.2CH3.2ClH.H3Si.Ti/c1-6-3-7(2)5-8(9)4-6;1-6-4-2-3-5-6;;;;;;/h3-5,9H,1-2H3;2,4H,3H2,1H3;2*1H3;2*1H;1H3;/q;3*-1;;;;+3.
What are the key properties of CID 173208778?
CID 173208778 has a molecular weight of 383.26 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173208778 is sourced from PubChem (CID 173208778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).