(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal

C14H28O2Si — CID 87739432

IUPAC(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
SMILESC/C(=C/C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7)8-9-15/h8-9,11-13H,10H2,1-7H3/b14-8-
InChIKeyCXKBOQGZRPREHK-ZSOIEALJSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal

(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal (PubChem CID 87739432) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal.

Molecular Properties

Compound Name(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
PubChem CID87739432
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
SMILESC/C(=C/C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7)8-9-15/h8-9,11-13H,10H2,1-7H3/b14-8-
InChIKeyCXKBOQGZRPREHK-ZSOIEALJSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
The IUPAC name of (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal (CID 87739432) is (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal.
What is the SMILES notation for (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
The canonical SMILES for (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal is C/C(=C/C=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
The InChIKey is CXKBOQGZRPREHK-ZSOIEALJSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7)8-9-15/h8-9,11-13H,10H2,1-7H3/b14-8-.
What are the key properties of (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal is sourced from PubChem (CID 87739432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).