4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one

C15H28OSi — CID 15358119

IUPAC4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
SMILESCC(C)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-11(2)15(16)9-10-17(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3
InChIKeyNVHMRUAHDYWCER-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.43
Rot. Bonds4

About 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one

4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one (PubChem CID 15358119) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one.

Molecular Properties

Compound Name4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
PubChem CID15358119
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
SMILESCC(C)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-11(2)15(16)9-10-17(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3
InChIKeyNVHMRUAHDYWCER-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.43
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'}

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Related Compounds

1-Pentyn-3-one, 4-methyl-1-(trimethylsilyl)-
CID 11116455
1-(Trimethylsilyl)pent-1-yn-3-one
CID 12529653
4,4-Dimethyl-1-(trimethylsilyl)pent-1-yn-3-one
CID 12529654
4-[(1,1-Dimethylethyl)dimethylsilyl]-3-butyn-2-one
CID 21609410
1-Cyclopropyl-3-(triisopropylsilyl)prop-2-yn-1-one
CID 171037488
4-(Triisopropylsilyl)but-3-yn-2-one
CID 11708389
1-Cyclopropyl-3-(trimethylsilyl)-2-propyn-1-one
CID 10749595
3-Butyn-2-one, 4-(triethylsilyl)-
CID 11469464
(4S)-4-methyl-6-tri(propan-2-yl)silylhex-5-yn-2-one
CID 101836454
(3R)-3-methyl-4-trimethylsilylbutan-2-one
CID 134881195
1-(Triisopropylsilyl)pent-1-yn-3-one
CID 135086221
4,4-Dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
CID 42637685

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
The IUPAC name of 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one (CID 15358119) is 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one.
What is the SMILES notation for 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
The canonical SMILES for 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one is CC(C)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
The InChIKey is NVHMRUAHDYWCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-11(2)15(16)9-10-17(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3.
What are the key properties of 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one?
4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one has a molecular weight of 252.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-tri(propan-2-yl)silylpent-1-yn-3-one is sourced from PubChem (CID 15358119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).