(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol

C16H32O3Si — CID 50915370

IUPAC(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
SMILESC=CCC[C@@H](O)[C@H](O)C[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-10-11-14(17)15(18)12-13(9-2)19-20(6,7)16(3,4)5/h8-9,13-15,17-18H,1-2,10-12H2,3-7H3/t13-,14+,15+/m0/s1
InChIKeyHXKFDSLFMFAIAS-RRFJBIMHSA-N
MW300.52 g/mol
LogP3.64
Rot. Bonds9

About (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol

(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol (PubChem CID 50915370) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol.

Molecular Properties

Compound Name(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
PubChem CID50915370
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
SMILESC=CCC[C@@H](O)[C@H](O)C[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-10-11-14(17)15(18)12-13(9-2)19-20(6,7)16(3,4)5/h8-9,13-15,17-18H,1-2,10-12H2,3-7H3/t13-,14+,15+/m0/s1
InChIKeyHXKFDSLFMFAIAS-RRFJBIMHSA-N
XLogP3.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol?
The IUPAC name of (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol (CID 50915370) is (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol.
What is the SMILES notation for (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol?
The canonical SMILES for (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol is C=CCC[C@@H](O)[C@H](O)C[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol?
The InChIKey is HXKFDSLFMFAIAS-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-10-11-14(17)15(18)12-13(9-2)19-20(6,7)16(3,4)5/h8-9,13-15,17-18H,1-2,10-12H2,3-7H3/t13-,14+,15+/m0/s1.
What are the key properties of (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol?
(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol has a molecular weight of 300.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol is sourced from PubChem (CID 50915370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).