(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol

C15H32O2Si — CID 46186047

IUPAC(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
SMILESC=CC[C@H](O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-10-14(16)12-9-11-13(2)17-18(6,7)15(3,4)5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyOLMFETYDWLHJJS-KBPBESRZSA-N
MW272.50 g/mol
LogP4.50
Rot. Bonds8

About (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol

(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol (PubChem CID 46186047) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol.

Molecular Properties

Compound Name(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
PubChem CID46186047
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
SMILESC=CC[C@H](O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-10-14(16)12-9-11-13(2)17-18(6,7)15(3,4)5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1
InChIKeyOLMFETYDWLHJJS-KBPBESRZSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol?
The IUPAC name of (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol (CID 46186047) is (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol.
What is the SMILES notation for (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol?
The canonical SMILES for (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol is C=CC[C@H](O)CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol?
The InChIKey is OLMFETYDWLHJJS-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-10-14(16)12-9-11-13(2)17-18(6,7)15(3,4)5/h8,13-14,16H,1,9-12H2,2-7H3/t13-,14-/m0/s1.
What are the key properties of (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol?
(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol has a molecular weight of 272.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol is sourced from PubChem (CID 46186047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).