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

C13H26O2Si — CID 42643392

IUPAC(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol
SMILESC=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@@H](C)O
InChIInChI=1S/C13H26O2Si/c1-10(9-11(2)14)12(3)15-16(7,8)13(4,5)6/h9,11,14H,3H2,1-2,4-8H3/b10-9+/t11-/m1/s1
InChIKeyIQXOMZWMJTYGKL-PBQZMEPESA-N
MW242.43 g/mol
LogP3.85
Rot. Bonds4

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

(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol (PubChem CID 42643392) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol
PubChem CID42643392
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol
SMILESC=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@@H](C)O
InChIInChI=1S/C13H26O2Si/c1-10(9-11(2)14)12(3)15-16(7,8)13(4,5)6/h9,11,14H,3H2,1-2,4-8H3/b10-9+/t11-/m1/s1
InChIKeyIQXOMZWMJTYGKL-PBQZMEPESA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol?
The IUPAC name of (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol (CID 42643392) is (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol.
What is the SMILES notation for (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol?
The canonical SMILES for (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol is C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@@H](C)O.
What is the InChIKey of (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol?
The InChIKey is IQXOMZWMJTYGKL-PBQZMEPESA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10(9-11(2)14)12(3)15-16(7,8)13(4,5)6/h9,11,14H,3H2,1-2,4-8H3/b10-9+/t11-/m1/s1.
What are the key properties of (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol?
(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol has a molecular weight of 242.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol is sourced from PubChem (CID 42643392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).