1-tri(propan-2-yl)silyltetradec-1-yn-3-one

C23H44OSi — CID 171037542

IUPAC1-tri(propan-2-yl)silyltetradec-1-yn-3-one
SMILESCCCCCCCCCCCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H44OSi/c1-8-9-10-11-12-13-14-15-16-17-23(24)18-19-25(20(2)3,21(4)5)22(6)7/h20-22H,8-17H2,1-7H3
InChIKeyQRQPRUNVRTXGGA-UHFFFAOYSA-N
MW364.69 g/mol
LogP7.70
Rot. Bonds13

About 1-tri(propan-2-yl)silyltetradec-1-yn-3-one

1-tri(propan-2-yl)silyltetradec-1-yn-3-one (PubChem CID 171037542) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silyltetradec-1-yn-3-one.

Molecular Properties

Compound Name1-tri(propan-2-yl)silyltetradec-1-yn-3-one
PubChem CID171037542
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Name1-tri(propan-2-yl)silyltetradec-1-yn-3-one
SMILESCCCCCCCCCCCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H44OSi/c1-8-9-10-11-12-13-14-15-16-17-23(24)18-19-25(20(2)3,21(4)5)22(6)7/h20-22H,8-17H2,1-7H3
InChIKeyQRQPRUNVRTXGGA-UHFFFAOYSA-N
XLogP7.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Heneicosyn-11-one
CID 108632
1-(Trimethylsilyl)-1-octyn-3-one
CID 10954493
1-(Trimethylsilyl)undec-1-yn-3-one
CID 14798469
1,1-Dimethylsilacyclotridecan-7-one
CID 554403
1-[Tert-butyl(dimethyl)silyl]oxyundec-2-yn-4-one
CID 88867921
Henicosa-2,19-diyn-11-one
CID 11162465
Henicos-19-yn-7-one
CID 11301234
1-Trimethylsilyldec-1-yn-3-one
CID 11746290
1-Tri(propan-2-yl)silyloct-1-yn-3-one
CID 11832837
8-Trimethylsilyltetradecan-7-one
CID 12524696
5-(Trimethylsilyl)decan-4-one
CID 12524698
3-Trimethylsilyloctan-2-one
CID 12524711

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silyltetradec-1-yn-3-one?
The IUPAC name of 1-tri(propan-2-yl)silyltetradec-1-yn-3-one (CID 171037542) is 1-tri(propan-2-yl)silyltetradec-1-yn-3-one.
What is the SMILES notation for 1-tri(propan-2-yl)silyltetradec-1-yn-3-one?
The canonical SMILES for 1-tri(propan-2-yl)silyltetradec-1-yn-3-one is CCCCCCCCCCCC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silyltetradec-1-yn-3-one?
The InChIKey is QRQPRUNVRTXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44OSi/c1-8-9-10-11-12-13-14-15-16-17-23(24)18-19-25(20(2)3,21(4)5)22(6)7/h20-22H,8-17H2,1-7H3.
What are the key properties of 1-tri(propan-2-yl)silyltetradec-1-yn-3-one?
1-tri(propan-2-yl)silyltetradec-1-yn-3-one has a molecular weight of 364.69 g/mol, XLogP of 7.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silyltetradec-1-yn-3-one is sourced from PubChem (CID 171037542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).