(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol

C25H52O4Si — CID 11059329

IUPAC(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol
SMILESCCCCCCCCCCCCCC/C=C\OC[C@H](CO)OCOCC[Si](C)(C)C
InChIInChI=1S/C25H52O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-23-25(22-26)29-24-28-20-21-30(2,3)4/h18-19,25-26H,5-17,20-24H2,1-4H3/b19-18-/t25-/m0/s1
InChIKeyQQTVZAIADPJIPA-JKWNBTIPSA-N
MW444.77 g/mol
LogP7.30
Rot. Bonds23

About (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol

(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol (PubChem CID 11059329) has the molecular formula C25H52O4Si and a molecular weight of 444.77 g/mol. Its IUPAC name is (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol
PubChem CID11059329
Molecular FormulaC25H52O4Si
Molecular Weight444.77 g/mol
Exact Mass444.36
IUPAC Name(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol
SMILESCCCCCCCCCCCCCC/C=C\OC[C@H](CO)OCOCC[Si](C)(C)C
InChIInChI=1S/C25H52O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-23-25(22-26)29-24-28-20-21-30(2,3)4/h18-19,25-26H,5-17,20-24H2,1-4H3/b19-18-/t25-/m0/s1
InChIKeyQQTVZAIADPJIPA-JKWNBTIPSA-N
XLogP7.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.77
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol 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 (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol?
The IUPAC name of (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol (CID 11059329) is (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol.
What is the SMILES notation for (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol?
The canonical SMILES for (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol is CCCCCCCCCCCCCC/C=C\OC[C@H](CO)OCOCC[Si](C)(C)C.
What is the InChIKey of (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol?
The InChIKey is QQTVZAIADPJIPA-JKWNBTIPSA-N. The full InChI is InChI=1S/C25H52O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-23-25(22-26)29-24-28-20-21-30(2,3)4/h18-19,25-26H,5-17,20-24H2,1-4H3/b19-18-/t25-/m0/s1.
What are the key properties of (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol?
(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol has a molecular weight of 444.77 g/mol, XLogP of 7.30, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol is sourced from PubChem (CID 11059329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).