(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol

C23H48O3Si2 — CID 90951994

IUPAC(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
SMILESCC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CC=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-13-16-20(25-27(9,10)22(3,4)5)19(2)21(17-14-15-18-24)26-28(11,12)23(6,7)8/h13-16,19-21,24H,17-18H2,1-12H3/t19-,20+,21-/m0/s1
InChIKeyYPEPYFDZOOBHAY-HBMCJLEFSA-N
MW428.81 g/mol
LogP6.92
Rot. Bonds10

About (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol

(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol (PubChem CID 90951994) has the molecular formula C23H48O3Si2 and a molecular weight of 428.81 g/mol. Its IUPAC name is (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol.

Molecular Properties

Compound Name(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
PubChem CID90951994
Molecular FormulaC23H48O3Si2
Molecular Weight428.81 g/mol
Exact Mass428.31
IUPAC Name(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
SMILESCC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CC=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O3Si2/c1-13-16-20(25-27(9,10)22(3,4)5)19(2)21(17-14-15-18-24)26-28(11,12)23(6,7)8/h13-16,19-21,24H,17-18H2,1-12H3/t19-,20+,21-/m0/s1
InChIKeyYPEPYFDZOOBHAY-HBMCJLEFSA-N
XLogP6.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 56.92
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

methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
CID 159080452
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
CID 10266482
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-6-ene-1,5-diol
CID 91516629
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol?
The IUPAC name of (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol (CID 90951994) is (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol.
What is the SMILES notation for (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol?
The canonical SMILES for (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol is CC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CC=CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol?
The InChIKey is YPEPYFDZOOBHAY-HBMCJLEFSA-N. The full InChI is InChI=1S/C23H48O3Si2/c1-13-16-20(25-27(9,10)22(3,4)5)19(2)21(17-14-15-18-24)26-28(11,12)23(6,7)8/h13-16,19-21,24H,17-18H2,1-12H3/t19-,20+,21-/m0/s1.
What are the key properties of (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol?
(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol has a molecular weight of 428.81 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol is sourced from PubChem (CID 90951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).