(2R)-2-methyl-5-trimethylsilylpent-4-ynal

C9H16OSi — CID 59125851

IUPAC(2R)-2-methyl-5-trimethylsilylpent-4-ynal
SMILESC[C@@H](C=O)CC#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-9(8-10)6-5-7-11(2,3)4/h8-9H,6H2,1-4H3/t9-/m1/s1
InChIKeyJDMVNRSIJCOQJH-SECBINFHSA-N
MW168.31 g/mol
LogP2.09
Rot. Bonds2

About (2R)-2-methyl-5-trimethylsilylpent-4-ynal

(2R)-2-methyl-5-trimethylsilylpent-4-ynal (PubChem CID 59125851) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (2R)-2-methyl-5-trimethylsilylpent-4-ynal.

Molecular Properties

Compound Name(2R)-2-methyl-5-trimethylsilylpent-4-ynal
PubChem CID59125851
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(2R)-2-methyl-5-trimethylsilylpent-4-ynal
SMILESC[C@@H](C=O)CC#C[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-9(8-10)6-5-7-11(2,3)4/h8-9H,6H2,1-4H3/t9-/m1/s1
InChIKeyJDMVNRSIJCOQJH-SECBINFHSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.09
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
(3R)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980713
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
5-[Tert-butyl(dimethyl)silyl]pent-4-ynal
CID 10932387
(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 11492566
(3S)-3-methyl-6-trimethylsilylhex-5-ynal
CID 11513871
(3S)-3-methyl-5-trimethylsilylpent-4-ynal
CID 16050206
1-Deuterio-3-methyl-5-trimethylsilylpent-4-yn-1-one
CID 16082171
3,3-Dimethyl-5-trimethylsilylpent-4-ynal
CID 23643368
(2S)-2-methyl-5-trimethylsilylpent-4-ynal
CID 56954069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-trimethylsilylpent-4-ynal?
The IUPAC name of (2R)-2-methyl-5-trimethylsilylpent-4-ynal (CID 59125851) is (2R)-2-methyl-5-trimethylsilylpent-4-ynal.
What is the SMILES notation for (2R)-2-methyl-5-trimethylsilylpent-4-ynal?
The canonical SMILES for (2R)-2-methyl-5-trimethylsilylpent-4-ynal is C[C@@H](C=O)CC#C[Si](C)(C)C.
What is the InChIKey of (2R)-2-methyl-5-trimethylsilylpent-4-ynal?
The InChIKey is JDMVNRSIJCOQJH-SECBINFHSA-N. The full InChI is InChI=1S/C9H16OSi/c1-9(8-10)6-5-7-11(2,3)4/h8-9H,6H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-5-trimethylsilylpent-4-ynal?
(2R)-2-methyl-5-trimethylsilylpent-4-ynal has a molecular weight of 168.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-trimethylsilylpent-4-ynal is sourced from PubChem (CID 59125851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).