2-tri(propan-2-yl)silylpent-4-ynal

C14H26OSi — CID 172550127

IUPAC2-tri(propan-2-yl)silylpent-4-ynal
SMILESC#CCC(C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26OSi/c1-8-9-14(10-15)16(11(2)3,12(4)5)13(6)7/h1,10-14H,9H2,2-7H3
InChIKeyBUKXEUIGOAZZDE-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.26
Rot. Bonds6

About 2-tri(propan-2-yl)silylpent-4-ynal

2-tri(propan-2-yl)silylpent-4-ynal (PubChem CID 172550127) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 2-tri(propan-2-yl)silylpent-4-ynal.

Molecular Properties

Compound Name2-tri(propan-2-yl)silylpent-4-ynal
PubChem CID172550127
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name2-tri(propan-2-yl)silylpent-4-ynal
SMILESC#CCC(C=O)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26OSi/c1-8-9-14(10-15)16(11(2)3,12(4)5)13(6)7/h1,10-14H,9H2,2-7H3
InChIKeyBUKXEUIGOAZZDE-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.26
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

2-methylpent-4-ynal
CID 22901278
4-methylhept-6-ynal
CID 130035295
(2S)-2-methylhex-5-ynal
CID 58067912
triethyl-[(2S)-pent-4-yn-2-yl]oxysilane
CID 11052607
(E)-3-(pent-4-yn-2-ylamino)prop-2-enoic acid
CID 103266015
2-methylpent-4-ynoic acid;hydrochloride
CID 88647692
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxynon-8-ynal
CID 90239143
(3S)-2-methylhex-5-yn-3-ol
CID 11789160
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane
CID 124680544
triethyl(hepta-1,6-diyn-4-yloxy)silane
CID 102524422
2-phenylpent-4-ynal
CID 14713497
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406

Frequently Asked Questions

What is the IUPAC name of 2-tri(propan-2-yl)silylpent-4-ynal?
The IUPAC name of 2-tri(propan-2-yl)silylpent-4-ynal (CID 172550127) is 2-tri(propan-2-yl)silylpent-4-ynal.
What is the SMILES notation for 2-tri(propan-2-yl)silylpent-4-ynal?
The canonical SMILES for 2-tri(propan-2-yl)silylpent-4-ynal is C#CCC(C=O)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-tri(propan-2-yl)silylpent-4-ynal?
The InChIKey is BUKXEUIGOAZZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-8-9-14(10-15)16(11(2)3,12(4)5)13(6)7/h1,10-14H,9H2,2-7H3.
What are the key properties of 2-tri(propan-2-yl)silylpent-4-ynal?
2-tri(propan-2-yl)silylpent-4-ynal has a molecular weight of 238.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tri(propan-2-yl)silylpent-4-ynal is sourced from PubChem (CID 172550127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).