(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol

C14H30O2Si — CID 46180429

IUPAC(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol
SMILESC=CCC(O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h8,12-13,15H,1,9-11H2,2-7H3/t12-,13?/m1/s1
InChIKeyAIDWFYPUMOQHDT-PZORYLMUSA-N
MW258.48 g/mol
LogP4.11
Rot. Bonds7

About (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol

(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol (PubChem CID 46180429) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol.

Molecular Properties

Compound Name(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol
PubChem CID46180429
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol
SMILESC=CCC(O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h8,12-13,15H,1,9-11H2,2-7H3/t12-,13?/m1/s1
InChIKeyAIDWFYPUMOQHDT-PZORYLMUSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.11
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'}

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
(E,3R)-1-trimethylsilyloct-1-en-3-ol
CID 10878190
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
Tert-butyl-dimethyl-oct-1-en-4-yloxysilane
CID 21528007
(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 71534218
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-ol
CID 10823381
(E,3S)-1-triethylsilyloct-1-en-3-ol
CID 10377101
Tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane
CID 10491465
(E)-1-trimethylsilyloct-1-en-4-ol
CID 10584209

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol?
The IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol (CID 46180429) is (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol.
What is the SMILES notation for (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol?
The canonical SMILES for (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol is C=CCC(O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol?
The InChIKey is AIDWFYPUMOQHDT-PZORYLMUSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h8,12-13,15H,1,9-11H2,2-7H3/t12-,13?/m1/s1.
What are the key properties of (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol?
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol has a molecular weight of 258.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-4-ol is sourced from PubChem (CID 46180429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).