3,3-dimethyl-5-trimethylsilylpent-4-ynal

C10H18OSi — CID 23643368

IUPAC3,3-dimethyl-5-trimethylsilylpent-4-ynal
SMILESCC(C)(C#C[Si](C)(C)C)CC=O
InChIInChI=1S/C10H18OSi/c1-10(2,6-8-11)7-9-12(3,4)5/h8H,6H2,1-5H3
InChIKeyUPJAGCGVSGSGPN-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.48
Rot. Bonds2

About 3,3-dimethyl-5-trimethylsilylpent-4-ynal

3,3-dimethyl-5-trimethylsilylpent-4-ynal (PubChem CID 23643368) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-trimethylsilylpent-4-ynal.

Molecular Properties

Compound Name3,3-dimethyl-5-trimethylsilylpent-4-ynal
PubChem CID23643368
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name3,3-dimethyl-5-trimethylsilylpent-4-ynal
SMILESCC(C)(C#C[Si](C)(C)C)CC=O
InChIInChI=1S/C10H18OSi/c1-10(2,6-8-11)7-9-12(3,4)5/h8H,6H2,1-5H3
InChIKeyUPJAGCGVSGSGPN-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(Trimethylsilyl)ethynyl)cyclopropane-1-carbaldehyde
CID 11805133
4-Pentynal, 5-(trimethylsilyl)-
CID 10888132
5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
(2R)-2-methyl-5-trimethylsilylpent-4-ynal
CID 59125851
(3R)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980713
5-[Tert-butyl(dimethyl)silyl]pent-4-ynal
CID 10932387
(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 11492566
2-Ethyl-2-(trimethylsilylmethyl)butanal
CID 12836132
2,2-Dimethyl-7-trimethylsilylhept-6-ynal
CID 15701258
(3S)-3-methyl-5-trimethylsilylpent-4-ynal
CID 16050206
1-Deuterio-3-methyl-5-trimethylsilylpent-4-yn-1-one
CID 16082171
(2S)-2-methyl-5-trimethylsilylpent-4-ynal
CID 56954069

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-trimethylsilylpent-4-ynal?
The IUPAC name of 3,3-dimethyl-5-trimethylsilylpent-4-ynal (CID 23643368) is 3,3-dimethyl-5-trimethylsilylpent-4-ynal.
What is the SMILES notation for 3,3-dimethyl-5-trimethylsilylpent-4-ynal?
The canonical SMILES for 3,3-dimethyl-5-trimethylsilylpent-4-ynal is CC(C)(C#C[Si](C)(C)C)CC=O.
What is the InChIKey of 3,3-dimethyl-5-trimethylsilylpent-4-ynal?
The InChIKey is UPJAGCGVSGSGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-10(2,6-8-11)7-9-12(3,4)5/h8H,6H2,1-5H3.
What are the key properties of 3,3-dimethyl-5-trimethylsilylpent-4-ynal?
3,3-dimethyl-5-trimethylsilylpent-4-ynal has a molecular weight of 182.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-trimethylsilylpent-4-ynal is sourced from PubChem (CID 23643368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).