(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol

C25H36O2Si — CID 10992951

IUPAC(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
SMILESC=CCCC[C@@H](O)C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-6-7-10-15-22(26)20-21(2)27-28(25(3,4)5,23-16-11-8-12-17-23)24-18-13-9-14-19-24/h6,8-9,11-14,16-19,21-22,26H,1,7,10,15,20H2,2-5H3/t21-,22+/m0/s1
InChIKeyKLNVHBPQTIEPHE-FCHUYYIVSA-N
MW396.65 g/mol
LogP5.06
Rot. Bonds10

About (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol

(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol (PubChem CID 10992951) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
PubChem CID10992951
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Name(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
SMILESC=CCCC[C@@H](O)C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-6-7-10-15-22(26)20-21(2)27-28(25(3,4)5,23-16-11-8-12-17-23)24-18-13-9-14-19-24/h6,8-9,11-14,16-19,21-22,26H,1,7,10,15,20H2,2-5H3/t21-,22+/m0/s1
InChIKeyKLNVHBPQTIEPHE-FCHUYYIVSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 11071459
2-[(2S,4S)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 10962441
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
(2R,3S,6S,8S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methylnonanoic acid
CID 11843470
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol?
The IUPAC name of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol (CID 10992951) is (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol.
What is the SMILES notation for (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol?
The canonical SMILES for (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol is C=CCCC[C@@H](O)C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol?
The InChIKey is KLNVHBPQTIEPHE-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-6-7-10-15-22(26)20-21(2)27-28(25(3,4)5,23-16-11-8-12-17-23)24-18-13-9-14-19-24/h6,8-9,11-14,16-19,21-22,26H,1,7,10,15,20H2,2-5H3/t21-,22+/m0/s1.
What are the key properties of (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol?
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol has a molecular weight of 396.65 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol is sourced from PubChem (CID 10992951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).