(Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol

C13H28O2SSi — CID 71479537

IUPAC(Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol
SMILESCS/C=C(/CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2SSi/c1-10(2)17(11(3)4,12(5)6)15-13(8-14)9-16-7/h9-12,14H,8H2,1-7H3/b13-9-
InChIKeyPSDJWNIHLNMCAB-LCYFTJDESA-N
MW276.52 g/mol
LogP4.38
Rot. Bonds7

About (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol

(Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol (PubChem CID 71479537) has the molecular formula C13H28O2SSi and a molecular weight of 276.52 g/mol. Its IUPAC name is (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol
PubChem CID71479537
Molecular FormulaC13H28O2SSi
Molecular Weight276.52 g/mol
Exact Mass276.16
IUPAC Name(Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol
SMILESCS/C=C(/CO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2SSi/c1-10(2)17(11(3)4,12(5)6)15-13(8-14)9-16-7/h9-12,14H,8H2,1-7H3/b13-9-
InChIKeyPSDJWNIHLNMCAB-LCYFTJDESA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol?
The IUPAC name of (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol (CID 71479537) is (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol?
The canonical SMILES for (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol is CS/C=C(/CO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol?
The InChIKey is PSDJWNIHLNMCAB-LCYFTJDESA-N. The full InChI is InChI=1S/C13H28O2SSi/c1-10(2)17(11(3)4,12(5)6)15-13(8-14)9-16-7/h9-12,14H,8H2,1-7H3/b13-9-.
What are the key properties of (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol?
(Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol has a molecular weight of 276.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylsulfanyl-2-tri(propan-2-yl)silyloxyprop-2-en-1-ol is sourced from PubChem (CID 71479537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).