2-(3-trimethylsilyloxypropyl)cyclododecan-1-one

C18H36O2Si — CID 54031121

IUPAC2-(3-trimethylsilyloxypropyl)cyclododecan-1-one
SMILESC[Si](C)(C)OCCCC1CCCCCCCCCCC1=O
InChIInChI=1S/C18H36O2Si/c1-21(2,3)20-16-12-14-17-13-10-8-6-4-5-7-9-11-15-18(17)19/h17H,4-16H2,1-3H3
InChIKeyLFQYJGLEFCLJKE-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.72
Rot. Bonds5

About 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one

2-(3-trimethylsilyloxypropyl)cyclododecan-1-one (PubChem CID 54031121) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one.

Molecular Properties

Compound Name2-(3-trimethylsilyloxypropyl)cyclododecan-1-one
PubChem CID54031121
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name2-(3-trimethylsilyloxypropyl)cyclododecan-1-one
SMILESC[Si](C)(C)OCCCC1CCCCCCCCCCC1=O
InChIInChI=1S/C18H36O2Si/c1-21(2,3)20-16-12-14-17-13-10-8-6-4-5-7-9-11-15-18(17)19/h17H,4-16H2,1-3H3
InChIKeyLFQYJGLEFCLJKE-UHFFFAOYSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one?
The IUPAC name of 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one (CID 54031121) is 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one.
What is the SMILES notation for 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one?
The canonical SMILES for 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one is C[Si](C)(C)OCCCC1CCCCCCCCCCC1=O.
What is the InChIKey of 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one?
The InChIKey is LFQYJGLEFCLJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-21(2,3)20-16-12-14-17-13-10-8-6-4-5-7-9-11-15-18(17)19/h17H,4-16H2,1-3H3.
What are the key properties of 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one?
2-(3-trimethylsilyloxypropyl)cyclododecan-1-one has a molecular weight of 312.57 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilyloxypropyl)cyclododecan-1-one is sourced from PubChem (CID 54031121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).