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

C12H24O2Si — CID 44556792

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)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-/m0/s1
InChIKeyDQIGJTSGNQMRCQ-QWRGUYRKSA-N
MW228.41 g/mol
LogP3.11
Rot. Bonds5

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

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol (PubChem CID 44556792) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
PubChem CID44556792
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)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-/m0/s1
InChIKeyDQIGJTSGNQMRCQ-QWRGUYRKSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol (CID 44556792) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C=C.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
The InChIKey is DQIGJTSGNQMRCQ-QWRGUYRKSA-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-/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol?
(3S,4S)-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 (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol is sourced from PubChem (CID 44556792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).