CID 156681564

C13H22F2O2Si — CID 156681564

IUPAC—
SMILESC=C(C)C(=O)OCCCCCCCC[Si]C(F)F
InChIInChI=1S/C13H22F2O2Si/c1-11(2)12(16)17-9-7-5-3-4-6-8-10-18-13(14)15/h13H,1,3-10H2,2H3
InChIKeyOBNPIRZETXCILO-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.79
Rot. Bonds11

About CID 156681564

CID 156681564 (PubChem CID 156681564) has the molecular formula C13H22F2O2Si and a molecular weight of 276.40 g/mol.

Molecular Properties

Compound NameCID 156681564
PubChem CID156681564
Molecular FormulaC13H22F2O2Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name—
SMILESC=C(C)C(=O)OCCCCCCCC[Si]C(F)F
InChIInChI=1S/C13H22F2O2Si/c1-11(2)12(16)17-9-7-5-3-4-6-8-10-18-13(14)15/h13H,1,3-10H2,2H3
InChIKeyOBNPIRZETXCILO-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.79
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 156681564 with MolForge

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

Launch Full Analysis

Related Compounds

CID 156681543
CID 156681543
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
10-phosphanyldecyl 2-methylprop-2-enoate
CID 174956599
CID 156681384
CID 156681384
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189

Frequently Asked Questions

What is the IUPAC name of CID 156681564?
The IUPAC name of CID 156681564 (CID 156681564) is not available.
What is the SMILES notation for CID 156681564?
The canonical SMILES for CID 156681564 is C=C(C)C(=O)OCCCCCCCC[Si]C(F)F.
What is the InChIKey of CID 156681564?
The InChIKey is OBNPIRZETXCILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O2Si/c1-11(2)12(16)17-9-7-5-3-4-6-8-10-18-13(14)15/h13H,1,3-10H2,2H3.
What are the key properties of CID 156681564?
CID 156681564 has a molecular weight of 276.40 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156681564 is sourced from PubChem (CID 156681564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).