(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one

C16H28OSi — CID 135000672

IUPAC(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one
SMILESCC(C)[Si](C#C[C@H]1CCC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C16H28OSi/c1-12(2)18(13(3)4,14(5)6)10-9-15-7-8-16(17)11-15/h12-15H,7-8,11H2,1-6H3/t15-/m1/s1
InChIKeySCWPNJBIACYTON-OAHLLOKOSA-N
MW264.48 g/mol
LogP4.58
Rot. Bonds3

About (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one

(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one (PubChem CID 135000672) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one
PubChem CID135000672
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one
SMILESCC(C)[Si](C#C[C@H]1CCC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C16H28OSi/c1-12(2)18(13(3)4,14(5)6)10-9-15-7-8-16(17)11-15/h12-15H,7-8,11H2,1-6H3/t15-/m1/s1
InChIKeySCWPNJBIACYTON-OAHLLOKOSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one with MolForge

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Related Compounds

1-Cyclopentyl-3-(trimethylsilyl)prop-2-yn-1-one
CID 12748618
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
3-[Tert-butyl(dimethyl)silyl]-3-methylcyclopentan-1-one
CID 85598144
(4S)-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-2-one
CID 101836454
(5S)-5-methyl-7-tri(propan-2-yl)silylhept-6-yn-3-one
CID 101836455
3-(Trimethylsilylmethyl)cyclopentan-1-one
CID 122216044
2-(3-Trimethylsilylprop-2-ynyl)cyclopentan-1-one
CID 11159881
1-Cyclopentyl-5-trimethylsilanyl-pent-4-yn-1-one
CID 21938587
2-Methyl-7-trimethylsilylhept-6-yn-3-one
CID 57691775
1-Cyclopropyl-4-(trimethylsilyl)-3-butyn-2-one
CID 130055544
2-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 172552152

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one (CID 135000672) is (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one is CC(C)[Si](C#C[C@H]1CCC(=O)C1)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one?
The InChIKey is SCWPNJBIACYTON-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28OSi/c1-12(2)18(13(3)4,14(5)6)10-9-15-7-8-16(17)11-15/h12-15H,7-8,11H2,1-6H3/t15-/m1/s1.
What are the key properties of (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one?
(3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one has a molecular weight of 264.48 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopentan-1-one is sourced from PubChem (CID 135000672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).