(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol

C17H34O2Si — CID 11580263

IUPAC(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
SMILESC=CC[C@@H](O)C(C)(C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-10-12-14(18)17(6,7)15(13-11-2)19-20(8,9)16(3,4)5/h10-11,14-15,18H,1-2,12-13H2,3-9H3/t14-,15-/m1/s1
InChIKeyPWSKAJLMYKRXIH-HUUCEWRRSA-N
MW298.54 g/mol
LogP4.92
Rot. Bonds8

About (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol

(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol (PubChem CID 11580263) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol.

Molecular Properties

Compound Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
PubChem CID11580263
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
SMILESC=CC[C@@H](O)C(C)(C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-10-12-14(18)17(6,7)15(13-11-2)19-20(8,9)16(3,4)5/h10-11,14-15,18H,1-2,12-13H2,3-9H3/t14-,15-/m1/s1
InChIKeyPWSKAJLMYKRXIH-HUUCEWRRSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.92
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,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol?
The IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol (CID 11580263) is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol.
What is the SMILES notation for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol?
The canonical SMILES for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol is C=CC[C@@H](O)C(C)(C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol?
The InChIKey is PWSKAJLMYKRXIH-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-10-12-14(18)17(6,7)15(13-11-2)19-20(8,9)16(3,4)5/h10-11,14-15,18H,1-2,12-13H2,3-9H3/t14-,15-/m1/s1.
What are the key properties of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol?
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol has a molecular weight of 298.54 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol is sourced from PubChem (CID 11580263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).