1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate

C23H50O4Si2 — CID 553495

IUPAC1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-22(20-25-28(2,3)4)21-26-29(5,6)7/h22H,8-21H2,1-7H3
InChIKeyYDASQGBHNHGOSK-UHFFFAOYSA-N
MW446.82 g/mol
LogP7.30
Rot. Bonds19

About 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate

1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate (PubChem CID 553495) has the molecular formula C23H50O4Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate.

Molecular Properties

Compound Name1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate
PubChem CID553495
Molecular FormulaC23H50O4Si2
Molecular Weight446.82 g/mol
Exact Mass446.32
IUPAC Name1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-22(20-25-28(2,3)4)21-26-29(5,6)7/h22H,8-21H2,1-7H3
InChIKeyYDASQGBHNHGOSK-UHFFFAOYSA-N
XLogP7.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate 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 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate?
The IUPAC name of 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate (CID 553495) is 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate.
What is the SMILES notation for 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate?
The canonical SMILES for 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate?
The InChIKey is YDASQGBHNHGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-22(20-25-28(2,3)4)21-26-29(5,6)7/h22H,8-21H2,1-7H3.
What are the key properties of 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate?
1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate has a molecular weight of 446.82 g/mol, XLogP of 7.30, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyloxy)propan-2-yl tetradecanoate is sourced from PubChem (CID 553495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).