(7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol

C22H42O2Si2 — CID 91153667

IUPAC(7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C=CC=CC#C[Si](C)(C)C
InChIInChI=1S/C22H42O2Si2/c1-10-11-14-18-21(24-26(8,9)22(2,3)4)20(23)17-15-12-13-16-19-25(5,6)7/h12-13,15,17,20-21,23H,10-11,14,18H2,1-9H3/t20-,21+/m1/s1
InChIKeyDGWPDJFJWDEMOX-RTWAWAEBSA-N
MW394.75 g/mol
LogP6.31
Rot. Bonds9

About (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol

(7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol (PubChem CID 91153667) has the molecular formula C22H42O2Si2 and a molecular weight of 394.75 g/mol. Its IUPAC name is (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol.

Molecular Properties

Compound Name(7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol
PubChem CID91153667
Molecular FormulaC22H42O2Si2
Molecular Weight394.75 g/mol
Exact Mass394.27
IUPAC Name(7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C=CC=CC#C[Si](C)(C)C
InChIInChI=1S/C22H42O2Si2/c1-10-11-14-18-21(24-26(8,9)22(2,3)4)20(23)17-15-12-13-16-19-25(5,6)7/h12-13,15,17,20-21,23H,10-11,14,18H2,1-9H3/t20-,21+/m1/s1
InChIKeyDGWPDJFJWDEMOX-RTWAWAEBSA-N
XLogP6.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.75
LogP ≤ 56.31
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-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 (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol?
The IUPAC name of (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol (CID 91153667) is (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol.
What is the SMILES notation for (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol?
The canonical SMILES for (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C=CC=CC#C[Si](C)(C)C.
What is the InChIKey of (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol?
The InChIKey is DGWPDJFJWDEMOX-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H42O2Si2/c1-10-11-14-18-21(24-26(8,9)22(2,3)4)20(23)17-15-12-13-16-19-25(5,6)7/h12-13,15,17,20-21,23H,10-11,14,18H2,1-9H3/t20-,21+/m1/s1.
What are the key properties of (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol?
(7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol has a molecular weight of 394.75 g/mol, XLogP of 6.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltrideca-3,5-dien-1-yn-7-ol is sourced from PubChem (CID 91153667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).