2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol

C26H52O4Si2 — CID 57275712

IUPAC2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol
SMILESCC(C)=CCC(O)C(C)CCC[C@]1(C)OCC(=CCO[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C
InChIInChI=1S/C26H52O4Si2/c1-21(2)13-15-24(27)22(3)12-11-18-26(4)25(30-32(8,9)10)16-14-23(20-28-26)17-19-29-31(5,6)7/h13,17,22,24-25,27H,11-12,14-16,18-20H2,1-10H3/t22?,24?,25-,26+/m1/s1
InChIKeyBVJRSIRSLRSOPR-UKTLEQMESA-N
MW484.87 g/mol
LogP7.08
Rot. Bonds12

About 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol

2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol (PubChem CID 57275712) has the molecular formula C26H52O4Si2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol.

Molecular Properties

Compound Name2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol
PubChem CID57275712
Molecular FormulaC26H52O4Si2
Molecular Weight484.87 g/mol
Exact Mass484.34
IUPAC Name2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol
SMILESCC(C)=CCC(O)C(C)CCC[C@]1(C)OCC(=CCO[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C
InChIInChI=1S/C26H52O4Si2/c1-21(2)13-15-24(27)22(3)12-11-18-26(4)25(30-32(8,9)10)16-14-23(20-28-26)17-19-29-31(5,6)7/h13,17,22,24-25,27H,11-12,14-16,18-20H2,1-10H3/t22?,24?,25-,26+/m1/s1
InChIKeyBVJRSIRSLRSOPR-UKTLEQMESA-N
XLogP7.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-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 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol?
The IUPAC name of 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol (CID 57275712) is 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol.
What is the SMILES notation for 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol?
The canonical SMILES for 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol is CC(C)=CCC(O)C(C)CCC[C@]1(C)OCC(=CCO[Si](C)(C)C)CC[C@H]1O[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol?
The InChIKey is BVJRSIRSLRSOPR-UKTLEQMESA-N. The full InChI is InChI=1S/C26H52O4Si2/c1-21(2)13-15-24(27)22(3)12-11-18-26(4)25(30-32(8,9)10)16-14-23(20-28-26)17-19-29-31(5,6)7/h13,17,22,24-25,27H,11-12,14-16,18-20H2,1-10H3/t22?,24?,25-,26+/m1/s1.
What are the key properties of 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol?
2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol has a molecular weight of 484.87 g/mol, XLogP of 7.08, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-[(2S,3R)-2-methyl-3-trimethylsilyloxy-6-(2-trimethylsilyloxyethylidene)oxepan-2-yl]non-2-en-5-ol is sourced from PubChem (CID 57275712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).