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

C17H32OSi — CID 102296905

IUPAC(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal
SMILESCC(C)[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CC=O
InChIInChI=1S/C17H32OSi/c1-13(2)17(9-11-18)10-12-19(14(3)4,15(5)6)16(7)8/h11,13-17H,9H2,1-8H3/t17-/m0/s1
InChIKeyDNJXHJLGUUVKFX-KRWDZBQOSA-N
MW280.53 g/mol
LogP5.07
Rot. Bonds6

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

(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal (PubChem CID 102296905) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal
PubChem CID102296905
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal
SMILESCC(C)[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CC=O
InChIInChI=1S/C17H32OSi/c1-13(2)17(9-11-18)10-12-19(14(3)4,15(5)6)16(7)8/h11,13-17H,9H2,1-8H3/t17-/m0/s1
InChIKeyDNJXHJLGUUVKFX-KRWDZBQOSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.07
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

(Z,3S)-3-[2-tri(propan-2-yl)silylethynyl]non-6-enal
CID 44517963
(3S)-12-hydroxy-3-[2-tri(propan-2-yl)silylethynyl]dodecanal
CID 44517964
(2S)-3-methyl-2-(2-oxoethyl)butanenitrile
CID 98040671
[(Z)-3-bromodec-7-en-1-ynyl]-tri(propan-2-yl)silane
CID 166637294
(4R,6R)-6-methyl-8-tri(propan-2-yl)silyloct-1-en-7-yn-4-ol
CID 145294780
3-trimethylsilylbutanal
CID 14617524
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980521
(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 138981118
3-tri(propan-2-yl)silyloxybutanal
CID 46210548
2-methyl-4-oxobutanenitrile
CID 12794201
3-ethyl-4-methylpentanal
CID 57153829
2-difluoroboranylethynyl-tri(propan-2-yl)silane
CID 164667298

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal?
The IUPAC name of (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal (CID 102296905) is (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal.
What is the SMILES notation for (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal?
The canonical SMILES for (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal is CC(C)[C@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CC=O.
What is the InChIKey of (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal?
The InChIKey is DNJXHJLGUUVKFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13(2)17(9-11-18)10-12-19(14(3)4,15(5)6)16(7)8/h11,13-17H,9H2,1-8H3/t17-/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal?
(3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal has a molecular weight of 280.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-ynal is sourced from PubChem (CID 102296905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).