(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol

C12H24O2Si — CID 14175294

IUPAC(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
SMILESC=C[C@@H](O)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10(13)11(9-2)14-15(6,7)12(3,4)5/h8-11,13H,1-2H2,3-7H3/t10-,11-/m1/s1
InChIKeyDQIGJTSGNQMRCQ-GHMZBOCLSA-N
MW228.41 g/mol
LogP3.11
Rot. Bonds5

About (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol (PubChem CID 14175294) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
PubChem CID14175294
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
SMILESC=C[C@@H](O)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10(13)11(9-2)14-15(6,7)12(3,4)5/h8-11,13H,1-2H2,3-7H3/t10-,11-/m1/s1
InChIKeyDQIGJTSGNQMRCQ-GHMZBOCLSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
CID 71819486
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
The IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol (CID 14175294) is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol.
What is the SMILES notation for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
The canonical SMILES for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol is C=C[C@@H](O)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
The InChIKey is DQIGJTSGNQMRCQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-10(13)11(9-2)14-15(6,7)12(3,4)5/h8-11,13H,1-2H2,3-7H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol has a molecular weight of 228.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol is sourced from PubChem (CID 14175294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).