6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one

C18H34OSi — CID 59628205

IUPAC6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one
SMILESCC(C)[Si](C#CCC(=O)CC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)20(15(3)4,16(5)6)12-10-11-17(19)13-18(7,8)9/h14-16H,11,13H2,1-9H3
InChIKeyOHDJPOGJBSNOKB-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.60
Rot. Bonds5

About 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one

6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one (PubChem CID 59628205) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one
PubChem CID59628205
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one
SMILESCC(C)[Si](C#CCC(=O)CC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)20(15(3)4,16(5)6)12-10-11-17(19)13-18(7,8)9/h14-16H,11,13H2,1-9H3
InChIKeyOHDJPOGJBSNOKB-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.60
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

(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
5,5-Dimethyl-1-trimethylsilylhexan-3-one
CID 100921794
(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
2,2-Dimethyl-5,7-bis(trimethylsilyl)hept-6-yn-3-one
CID 166438595
4,4-Dimethyl-1-tri(propan-2-yl)silylpent-1-yn-3-one
CID 42637685
2-Methyl-7-trimethylsilylhept-6-yn-3-one
CID 57691775
1-[Tert-butyl(dimethyl)silyl]-6,6-dimethylhept-1-yn-4-one
CID 59628210
6,6-Dimethyl-1-trimethylsilylhept-1-yn-4-one
CID 59628212
4,4-Dimethyl-7-trimethylsilylhept-6-yn-2-one
CID 10584598
3-Methyl-3-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 10774214
2,2,4-Trimethyl-7-trimethylsilylhept-5-yn-3-one
CID 10900276

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one?
The IUPAC name of 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one (CID 59628205) is 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one.
What is the SMILES notation for 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one?
The canonical SMILES for 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one is CC(C)[Si](C#CCC(=O)CC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one?
The InChIKey is OHDJPOGJBSNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14(2)20(15(3)4,16(5)6)12-10-11-17(19)13-18(7,8)9/h14-16H,11,13H2,1-9H3.
What are the key properties of 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one?
6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one has a molecular weight of 294.56 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-tri(propan-2-yl)silylhept-1-yn-4-one is sourced from PubChem (CID 59628205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).