(2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol

C17H36O2Si — CID 91075528

IUPAC(2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H](C)C=CC[C@H](C)CO
InChIInChI=1S/C17H36O2Si/c1-7-17(19-20(8-2,9-3)10-4)16(6)13-11-12-15(5)14-18/h11,13,15-18H,7-10,12,14H2,1-6H3/t15-,16-,17-/m0/s1
InChIKeyHRDNFMRFPHHMEP-ULQDDVLXSA-N
MW300.56 g/mol
LogP5.00
Rot. Bonds11

About (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol

(2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol (PubChem CID 91075528) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol.

Molecular Properties

Compound Name(2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol
PubChem CID91075528
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H](C)C=CC[C@H](C)CO
InChIInChI=1S/C17H36O2Si/c1-7-17(19-20(8-2,9-3)10-4)16(6)13-11-12-15(5)14-18/h11,13,15-18H,7-10,12,14H2,1-6H3/t15-,16-,17-/m0/s1
InChIKeyHRDNFMRFPHHMEP-ULQDDVLXSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-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,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol?
The IUPAC name of (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol (CID 91075528) is (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol.
What is the SMILES notation for (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol?
The canonical SMILES for (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol is CC[C@H](O[Si](CC)(CC)CC)[C@@H](C)C=CC[C@H](C)CO.
What is the InChIKey of (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol?
The InChIKey is HRDNFMRFPHHMEP-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-7-17(19-20(8-2,9-3)10-4)16(6)13-11-12-15(5)14-18/h11,13,15-18H,7-10,12,14H2,1-6H3/t15-,16-,17-/m0/s1.
What are the key properties of (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol?
(2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol has a molecular weight of 300.56 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,7S)-2,6-dimethyl-7-triethylsilyloxynon-4-en-1-ol is sourced from PubChem (CID 91075528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).