(E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol

C14H30OSi — CID 101410796

IUPAC(E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol
SMILESCC(C)[Si](/C=C/C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C14H30OSi/c1-11(2)16(12(3)4,13(5)6)10-9-14(7,8)15/h9-13,15H,1-8H3/b10-9+
InChIKeyRJVMMSUTAOXTOC-MDZDMXLPSA-N
MW242.48 g/mol
LogP4.53
Rot. Bonds5

About (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol

(E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol (PubChem CID 101410796) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol
PubChem CID101410796
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name(E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol
SMILESCC(C)[Si](/C=C/C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C14H30OSi/c1-11(2)16(12(3)4,13(5)6)10-9-14(7,8)15/h9-13,15H,1-8H3/b10-9+
InChIKeyRJVMMSUTAOXTOC-MDZDMXLPSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol (CID 101410796) is (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol is CC(C)[Si](/C=C/C(C)(C)O)(C(C)C)C(C)C.
What is the InChIKey of (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol?
The InChIKey is RJVMMSUTAOXTOC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H30OSi/c1-11(2)16(12(3)4,13(5)6)10-9-14(7,8)15/h9-13,15H,1-8H3/b10-9+.
What are the key properties of (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol?
(E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol has a molecular weight of 242.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-tri(propan-2-yl)silylbut-3-en-2-ol is sourced from PubChem (CID 101410796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).