(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol

C12H23FO2Si — CID 11149286

IUPAC(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol
SMILESC=C/C(F)=C\[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO2Si/c1-7-10(13)8-11(14)9-15-16(5,6)12(2,3)4/h7-8,11,14H,1,9H2,2-6H3/b10-8+/t11-/m1/s1
InChIKeyNAOQLJOXVXRBCQ-RJCSOLBVSA-N
MW246.40 g/mol
LogP3.41
Rot. Bonds5

About (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol

(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol (PubChem CID 11149286) has the molecular formula C12H23FO2Si and a molecular weight of 246.40 g/mol. Its IUPAC name is (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol
PubChem CID11149286
Molecular FormulaC12H23FO2Si
Molecular Weight246.40 g/mol
Exact Mass246.15
IUPAC Name(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol
SMILESC=C/C(F)=C\[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO2Si/c1-7-10(13)8-11(14)9-15-16(5,6)12(2,3)4/h7-8,11,14H,1,9H2,2-6H3/b10-8+/t11-/m1/s1
InChIKeyNAOQLJOXVXRBCQ-RJCSOLBVSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-ene-1,2-diol
CID 102039375
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 22236659
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 60037105
5-[Tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 73877128
6-[Tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol
CID 140981349
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,4-dien-1-ol
CID 11736974
(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol
CID 42643392
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-1-ol
CID 102108790
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 129403734
(E)-1-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-ol
CID 134897288

Frequently Asked Questions

What is the IUPAC name of (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol?
The IUPAC name of (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol (CID 11149286) is (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol.
What is the SMILES notation for (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol?
The canonical SMILES for (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol is C=C/C(F)=C\[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol?
The InChIKey is NAOQLJOXVXRBCQ-RJCSOLBVSA-N. The full InChI is InChI=1S/C12H23FO2Si/c1-7-10(13)8-11(14)9-15-16(5,6)12(2,3)4/h7-8,11,14H,1,9H2,2-6H3/b10-8+/t11-/m1/s1.
What are the key properties of (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol?
(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol has a molecular weight of 246.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol is sourced from PubChem (CID 11149286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).