(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal

C10H19ClO2Si — CID 134856858

IUPAC(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal
SMILESCC(C)(C)[Si](C)(C)OC/C(Cl)=C/C=O
InChIInChI=1S/C10H19ClO2Si/c1-10(2,3)14(4,5)13-8-9(11)6-7-12/h6-7H,8H2,1-5H3/b9-6-
InChIKeyZMIINCMJKOGXDM-TWGQIWQCSA-N
MW234.80 g/mol
LogP3.33
Rot. Bonds4

About (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal (PubChem CID 134856858) has the molecular formula C10H19ClO2Si and a molecular weight of 234.80 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal
PubChem CID134856858
Molecular FormulaC10H19ClO2Si
Molecular Weight234.80 g/mol
Exact Mass234.08
IUPAC Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal
SMILESCC(C)(C)[Si](C)(C)OC/C(Cl)=C/C=O
InChIInChI=1S/C10H19ClO2Si/c1-10(2,3)14(4,5)13-8-9(11)6-7-12/h6-7H,8H2,1-5H3/b9-6-
InChIKeyZMIINCMJKOGXDM-TWGQIWQCSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.80
LogP ≤ 53.33
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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Related Compounds

(E)-4-((tert-Butyldimethylsilyl)oxy)but-2-enal
CID 10536054
4-{[tert-Butyl(dimethyl)silyl]oxy}but-2-enal
CID 71340532
(E)-3-[tris-(1-methylethyl)silyloxymethyl]but-2-enal
CID 11736972
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enal
CID 14185011
3-Methyl-4-{[tri(propan-2-yl)silyl]oxy}but-2-enal
CID 71415866
(Z)-3-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
CID 87739432
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal
CID 177230546
(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal
CID 11020262
4-{[tert-Butyl(dimethyl)silyl]oxy}-3-methylbut-2-enal
CID 71353226

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal (CID 134856858) is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal?
The canonical SMILES for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal is CC(C)(C)[Si](C)(C)OC/C(Cl)=C/C=O.
What is the InChIKey of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal?
The InChIKey is ZMIINCMJKOGXDM-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19ClO2Si/c1-10(2,3)14(4,5)13-8-9(11)6-7-12/h6-7H,8H2,1-5H3/b9-6-.
What are the key properties of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal?
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal has a molecular weight of 234.80 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-chlorobut-2-enal is sourced from PubChem (CID 134856858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).