(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol

C17H36OSi — CID 58493180

IUPAC(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol
SMILESCCC[C@H](C)C[C@@H](O)CC(=C(C)C)C(C)[Si](C)(C)C
InChIInChI=1S/C17H36OSi/c1-9-10-14(4)11-16(18)12-17(13(2)3)15(5)19(6,7)8/h14-16,18H,9-12H2,1-8H3/t14-,15?,16+/m0/s1
InChIKeyWYDRDLDVCYSLNG-DLDKDUQYSA-N
MW284.56 g/mol
LogP5.63
Rot. Bonds8

About (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol

(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol (PubChem CID 58493180) has the molecular formula C17H36OSi and a molecular weight of 284.56 g/mol. Its IUPAC name is (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol.

Molecular Properties

Compound Name(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol
PubChem CID58493180
Molecular FormulaC17H36OSi
Molecular Weight284.56 g/mol
Exact Mass284.25
IUPAC Name(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol
SMILESCCC[C@H](C)C[C@@H](O)CC(=C(C)C)C(C)[Si](C)(C)C
InChIInChI=1S/C17H36OSi/c1-9-10-14(4)11-16(18)12-17(13(2)3)15(5)19(6,7)8/h14-16,18H,9-12H2,1-8H3/t14-,15?,16+/m0/s1
InChIKeyWYDRDLDVCYSLNG-DLDKDUQYSA-N
XLogP5.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol?
The IUPAC name of (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol (CID 58493180) is (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol.
What is the SMILES notation for (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol?
The canonical SMILES for (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol is CCC[C@H](C)C[C@@H](O)CC(=C(C)C)C(C)[Si](C)(C)C.
What is the InChIKey of (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol?
The InChIKey is WYDRDLDVCYSLNG-DLDKDUQYSA-N. The full InChI is InChI=1S/C17H36OSi/c1-9-10-14(4)11-16(18)12-17(13(2)3)15(5)19(6,7)8/h14-16,18H,9-12H2,1-8H3/t14-,15?,16+/m0/s1.
What are the key properties of (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol?
(5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol has a molecular weight of 284.56 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2,7-dimethyl-3-(1-trimethylsilylethyl)dec-2-en-5-ol is sourced from PubChem (CID 58493180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).