1-[dichloro(propyl)silyl]pent-3-en-2-one

C8H14Cl2OSi — CID 141005227

IUPAC1-[dichloro(propyl)silyl]pent-3-en-2-one
SMILESCC=CC(=O)C[Si](Cl)(Cl)CCC
InChIInChI=1S/C8H14Cl2OSi/c1-3-5-8(11)7-12(9,10)6-4-2/h3,5H,4,6-7H2,1-2H3
InChIKeyDTUXTUQYZMAGAK-UHFFFAOYSA-N
MW225.19 g/mol
LogP3.46
Rot. Bonds5

About 1-[dichloro(propyl)silyl]pent-3-en-2-one

1-[dichloro(propyl)silyl]pent-3-en-2-one (PubChem CID 141005227) has the molecular formula C8H14Cl2OSi and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[dichloro(propyl)silyl]pent-3-en-2-one.

Molecular Properties

Compound Name1-[dichloro(propyl)silyl]pent-3-en-2-one
PubChem CID141005227
Molecular FormulaC8H14Cl2OSi
Molecular Weight225.19 g/mol
Exact Mass224.02
IUPAC Name1-[dichloro(propyl)silyl]pent-3-en-2-one
SMILESCC=CC(=O)C[Si](Cl)(Cl)CCC
InChIInChI=1S/C8H14Cl2OSi/c1-3-5-8(11)7-12(9,10)6-4-2/h3,5H,4,6-7H2,1-2H3
InChIKeyDTUXTUQYZMAGAK-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dichloro(propyl)silyl]pent-3-en-2-one?
The IUPAC name of 1-[dichloro(propyl)silyl]pent-3-en-2-one (CID 141005227) is 1-[dichloro(propyl)silyl]pent-3-en-2-one.
What is the SMILES notation for 1-[dichloro(propyl)silyl]pent-3-en-2-one?
The canonical SMILES for 1-[dichloro(propyl)silyl]pent-3-en-2-one is CC=CC(=O)C[Si](Cl)(Cl)CCC.
What is the InChIKey of 1-[dichloro(propyl)silyl]pent-3-en-2-one?
The InChIKey is DTUXTUQYZMAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2OSi/c1-3-5-8(11)7-12(9,10)6-4-2/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 1-[dichloro(propyl)silyl]pent-3-en-2-one?
1-[dichloro(propyl)silyl]pent-3-en-2-one has a molecular weight of 225.19 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro(propyl)silyl]pent-3-en-2-one is sourced from PubChem (CID 141005227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).