3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol

C15H32O3Si — CID 6710222

IUPAC3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
SMILESCC(=CCO)C(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-15(17)14(7)8-9-16/h8,11-13,15-17H,9-10H2,1-7H3
InChIKeyLRQFCCKTVFWONH-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.48
Rot. Bonds8

About 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol

3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol (PubChem CID 6710222) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol.

Molecular Properties

Compound Name3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
PubChem CID6710222
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
SMILESCC(=CCO)C(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-15(17)14(7)8-9-16/h8,11-13,15-17H,9-10H2,1-7H3
InChIKeyLRQFCCKTVFWONH-UHFFFAOYSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol?
The IUPAC name of 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol (CID 6710222) is 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol.
What is the SMILES notation for 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol?
The canonical SMILES for 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol is CC(=CCO)C(O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol?
The InChIKey is LRQFCCKTVFWONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-15(17)14(7)8-9-16/h8,11-13,15-17H,9-10H2,1-7H3.
What are the key properties of 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol?
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol has a molecular weight of 288.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol is sourced from PubChem (CID 6710222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).