(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol

C15H32O2Si — CID 11376118

IUPAC(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
SMILESC/C=C(/O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-9-15(16)14(8)10-17-18(11(2)3,12(4)5)13(6)7/h9,11-14,16H,10H2,1-8H3/b15-9+/t14-/m1/s1
InChIKeyZIYFWTOFFCBDAR-UWZYDCLUSA-N
MW272.50 g/mol
LogP5.28
Rot. Bonds7

About (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol

(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol (PubChem CID 11376118) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol.

Molecular Properties

Compound Name(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
PubChem CID11376118
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
SMILESC/C=C(/O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-9-15(16)14(8)10-17-18(11(2)3,12(4)5)13(6)7/h9,11-14,16H,10H2,1-8H3/b15-9+/t14-/m1/s1
InChIKeyZIYFWTOFFCBDAR-UWZYDCLUSA-N
XLogP5.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.28
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol?
The IUPAC name of (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol (CID 11376118) is (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol.
What is the SMILES notation for (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol?
The canonical SMILES for (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol is C/C=C(/O)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol?
The InChIKey is ZIYFWTOFFCBDAR-UWZYDCLUSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-9-15(16)14(8)10-17-18(11(2)3,12(4)5)13(6)7/h9,11-14,16H,10H2,1-8H3/b15-9+/t14-/m1/s1.
What are the key properties of (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol?
(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol has a molecular weight of 272.50 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol is sourced from PubChem (CID 11376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).