CID 173022144

C34H60NSiTi — CID 173022144

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CCCCCCCCCCCCCCCCCC[NH-].C[SiH]c1ccccc1.[Ti+2]
InChIInChI=1S/C18H38N.C9H13.C7H9Si.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-6-5-7(2)9(4)8(6)3;1-8-7-5-3-2-4-6-7;/h19H,2-18H2,1H3;6H,1-4H3;2-6,8H,1H3;/q2*-1;;+2
InChIKeyKSGLOZCZNXNSMQ-UHFFFAOYSA-N
MW558.81 g/mol
LogP10.82
Rot. Bonds17

About CID 173022144

CID 173022144 (PubChem CID 173022144) has the molecular formula C34H60NSiTi and a molecular weight of 558.81 g/mol.

Molecular Properties

Compound NameCID 173022144
PubChem CID173022144
Molecular FormulaC34H60NSiTi
Molecular Weight558.81 g/mol
Exact Mass558.40
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CCCCCCCCCCCCCCCCCC[NH-].C[SiH]c1ccccc1.[Ti+2]
InChIInChI=1S/C18H38N.C9H13.C7H9Si.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-6-5-7(2)9(4)8(6)3;1-8-7-5-3-2-4-6-7;/h19H,2-18H2,1H3;6H,1-4H3;2-6,8H,1H3;/q2*-1;;+2
InChIKeyKSGLOZCZNXNSMQ-UHFFFAOYSA-N
XLogP10.82
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 173022144?
The IUPAC name of CID 173022144 (CID 173022144) is not available.
What is the SMILES notation for CID 173022144?
The canonical SMILES for CID 173022144 is CC1=[C-]C(C)C(C)=C1C.CCCCCCCCCCCCCCCCCC[NH-].C[SiH]c1ccccc1.[Ti+2].
What is the InChIKey of CID 173022144?
The InChIKey is KSGLOZCZNXNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N.C9H13.C7H9Si.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-6-5-7(2)9(4)8(6)3;1-8-7-5-3-2-4-6-7;/h19H,2-18H2,1H3;6H,1-4H3;2-6,8H,1H3;/q2*-1;;+2.
What are the key properties of CID 173022144?
CID 173022144 has a molecular weight of 558.81 g/mol, XLogP of 10.82, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173022144 is sourced from PubChem (CID 173022144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).