(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal

C15H28OSi — CID 11492566

IUPAC(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
SMILESCC(C)[Si](C#C[C@@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-12(2)17(13(3)4,14(5)6)11-9-15(7)8-10-16/h10,12-15H,8H2,1-7H3/t15-/m0/s1
InChIKeyNXNAVZJYVCATJP-HNNXBMFYSA-N
MW252.47 g/mol
LogP4.43
Rot. Bonds5

About (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal

(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal (PubChem CID 11492566) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal.

Molecular Properties

Compound Name(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
PubChem CID11492566
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
SMILESCC(C)[Si](C#C[C@@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C15H28OSi/c1-12(2)17(13(3)4,14(5)6)11-9-15(7)8-10-16/h10,12-15H,8H2,1-7H3/t15-/m0/s1
InChIKeyNXNAVZJYVCATJP-HNNXBMFYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': '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-Hexynal, 6-(trimethylsilyl)-
CID 11116456
5-[Tert-butyl(dimethyl)silyl]pent-4-ynal
CID 10932387
(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 (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal?
The IUPAC name of (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal (CID 11492566) is (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal.
What is the SMILES notation for (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal?
The canonical SMILES for (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal is CC(C)[Si](C#C[C@@H](C)CC=O)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal?
The InChIKey is NXNAVZJYVCATJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-12(2)17(13(3)4,14(5)6)11-9-15(7)8-10-16/h10,12-15H,8H2,1-7H3/t15-/m0/s1.
What are the key properties of (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal?
(3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal has a molecular weight of 252.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal is sourced from PubChem (CID 11492566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).