CID 22214505

C22H45OSi — CID 22214505

IUPAC—
SMILESCCCCCCCCCCCC(CCO[Si](C)C)C1CCCCC1
InChIInChI=1S/C22H45OSi/c1-4-5-6-7-8-9-10-11-13-18-22(19-20-23-24(2)3)21-16-14-12-15-17-21/h21-22H,4-20H2,1-3H3
InChIKeyWTJJXQUCTUXPHJ-UHFFFAOYSA-N
MW353.69 g/mol
LogP7.76
Rot. Bonds15

About CID 22214505

CID 22214505 (PubChem CID 22214505) has the molecular formula C22H45OSi and a molecular weight of 353.69 g/mol.

Molecular Properties

Compound NameCID 22214505
PubChem CID22214505
Molecular FormulaC22H45OSi
Molecular Weight353.69 g/mol
Exact Mass353.32
IUPAC Name—
SMILESCCCCCCCCCCCC(CCO[Si](C)C)C1CCCCC1
InChIInChI=1S/C22H45OSi/c1-4-5-6-7-8-9-10-11-13-18-22(19-20-23-24(2)3)21-16-14-12-15-17-21/h21-22H,4-20H2,1-3H3
InChIKeyWTJJXQUCTUXPHJ-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 22214511
CID 22214511
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531
1-chlorododecan-2-ylcyclopentane
CID 112570395
2-cyclopentyloctan-1-amine
CID 112569591
1-bromodecan-2-ylcyclopentane
CID 112570528
6-cyclohexyldecyl carbamate
CID 70556984
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
1-cycloheptyldecylcycloheptane
CID 20559033
1-cyclohexylheptylcyclohexane
CID 16404

Frequently Asked Questions

What is the IUPAC name of CID 22214505?
The IUPAC name of CID 22214505 (CID 22214505) is not available.
What is the SMILES notation for CID 22214505?
The canonical SMILES for CID 22214505 is CCCCCCCCCCCC(CCO[Si](C)C)C1CCCCC1.
What is the InChIKey of CID 22214505?
The InChIKey is WTJJXQUCTUXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45OSi/c1-4-5-6-7-8-9-10-11-13-18-22(19-20-23-24(2)3)21-16-14-12-15-17-21/h21-22H,4-20H2,1-3H3.
What are the key properties of CID 22214505?
CID 22214505 has a molecular weight of 353.69 g/mol, XLogP of 7.76, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22214505 is sourced from PubChem (CID 22214505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).