5-chloro-1-tri(propan-2-yl)silylpentan-1-one

C14H29ClOSi — CID 87706247

IUPAC5-chloro-1-tri(propan-2-yl)silylpentan-1-one
SMILESCC(C)[Si](C(=O)CCCCCl)(C(C)C)C(C)C
InChIInChI=1S/C14H29ClOSi/c1-11(2)17(12(3)4,13(5)6)14(16)9-7-8-10-15/h11-13H,7-10H2,1-6H3
InChIKeyBKNIFFVBDRYPGW-UHFFFAOYSA-N
MW276.92 g/mol
LogP5.18
Rot. Bonds8

About 5-chloro-1-tri(propan-2-yl)silylpentan-1-one

5-chloro-1-tri(propan-2-yl)silylpentan-1-one (PubChem CID 87706247) has the molecular formula C14H29ClOSi and a molecular weight of 276.92 g/mol. Its IUPAC name is 5-chloro-1-tri(propan-2-yl)silylpentan-1-one.

Molecular Properties

Compound Name5-chloro-1-tri(propan-2-yl)silylpentan-1-one
PubChem CID87706247
Molecular FormulaC14H29ClOSi
Molecular Weight276.92 g/mol
Exact Mass276.17
IUPAC Name5-chloro-1-tri(propan-2-yl)silylpentan-1-one
SMILESCC(C)[Si](C(=O)CCCCCl)(C(C)C)C(C)C
InChIInChI=1S/C14H29ClOSi/c1-11(2)17(12(3)4,13(5)6)14(16)9-7-8-10-15/h11-13H,7-10H2,1-6H3
InChIKeyBKNIFFVBDRYPGW-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.92
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-tri(propan-2-yl)silylpentan-1-one?
The IUPAC name of 5-chloro-1-tri(propan-2-yl)silylpentan-1-one (CID 87706247) is 5-chloro-1-tri(propan-2-yl)silylpentan-1-one.
What is the SMILES notation for 5-chloro-1-tri(propan-2-yl)silylpentan-1-one?
The canonical SMILES for 5-chloro-1-tri(propan-2-yl)silylpentan-1-one is CC(C)[Si](C(=O)CCCCCl)(C(C)C)C(C)C.
What is the InChIKey of 5-chloro-1-tri(propan-2-yl)silylpentan-1-one?
The InChIKey is BKNIFFVBDRYPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClOSi/c1-11(2)17(12(3)4,13(5)6)14(16)9-7-8-10-15/h11-13H,7-10H2,1-6H3.
What are the key properties of 5-chloro-1-tri(propan-2-yl)silylpentan-1-one?
5-chloro-1-tri(propan-2-yl)silylpentan-1-one has a molecular weight of 276.92 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-tri(propan-2-yl)silylpentan-1-one is sourced from PubChem (CID 87706247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).