(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol

C21H46O3Si2 — CID 135015782

IUPAC(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol
SMILESC=CCC(O)C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-13-14-18(22)16-19(24-26(11,12)21(6,7)8)15-17(2)23-25(9,10)20(3,4)5/h13,17-19,22H,1,14-16H2,2-12H3/t17-,18?,19-/m0/s1
InChIKeyRLDNQNNLGCVIBX-JVUMBYKBSA-N
MW402.77 g/mol
LogP6.50
Rot. Bonds10

About (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol

(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol (PubChem CID 135015782) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol.

Molecular Properties

Compound Name(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol
PubChem CID135015782
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol
SMILESC=CCC(O)C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-13-14-18(22)16-19(24-26(11,12)21(6,7)8)15-17(2)23-25(9,10)20(3,4)5/h13,17-19,22H,1,14-16H2,2-12H3/t17-,18?,19-/m0/s1
InChIKeyRLDNQNNLGCVIBX-JVUMBYKBSA-N
XLogP6.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 56.50
H-Bond Donors ≤ 51
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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Related Compounds

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
Ctk2E3476
CID 11246239
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
CID 24884890
tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
CID 25258171
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
(4S,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 45113734
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
(4R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-en-4-ol
CID 46186047
(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850138

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol?
The IUPAC name of (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol (CID 135015782) is (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol.
What is the SMILES notation for (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol?
The canonical SMILES for (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol is C=CCC(O)C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol?
The InChIKey is RLDNQNNLGCVIBX-JVUMBYKBSA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-13-14-18(22)16-19(24-26(11,12)21(6,7)8)15-17(2)23-25(9,10)20(3,4)5/h13,17-19,22H,1,14-16H2,2-12H3/t17-,18?,19-/m0/s1.
What are the key properties of (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol?
(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol has a molecular weight of 402.77 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol is sourced from PubChem (CID 135015782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).