(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol

C21H36O2Si — CID 11717248

IUPAC(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@H]1C=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C21H36O2Si/c1-8-20(22)21-14-13-19(23-21)12-10-9-11-15-24(16(2)3,17(4)5)18(6)7/h8,13-14,16-22H,1,9-10,12H2,2-7H3/t19-,20+,21+/m1/s1
InChIKeyZDAIPBVCLFCTMA-HKBOAZHASA-N
MW348.60 g/mol
LogP5.25
Rot. Bonds8

About (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol

(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol (PubChem CID 11717248) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol
PubChem CID11717248
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@H]1C=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C21H36O2Si/c1-8-20(22)21-14-13-19(23-21)12-10-9-11-15-24(16(2)3,17(4)5)18(6)7/h8,13-14,16-22H,1,9-10,12H2,2-7H3/t19-,20+,21+/m1/s1
InChIKeyZDAIPBVCLFCTMA-HKBOAZHASA-N
XLogP5.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 57693333
CID 57693333
(2S,4R,5R)-2-methyl-5-[(E)-4-trimethylsilylbut-1-en-3-ynyl]oxolane-3,4-diol
CID 88976649
(2S,4R,5R)-2-methyl-5-(4-trimethylsilylbut-1-en-3-ynyl)oxolane-3,4-diol
CID 91471807
[5-(2-Trimethylsilylethynyl)-2,5-dihydrofuran-2-yl]methanol
CID 141311879
(2E,4R,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol
CID 10063179
(2R,3S,6R)-6-(1-ethoxyethoxy)-2-(4-trimethylsilylbut-3-ynyl)-3,6-dihydro-2H-pyran-3-ol
CID 10267547
(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol
CID 10379840
(2R,3R,6S)-6-(hydroxymethyl)-2-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]-3,6-dihydro-2H-pyran-3-ol
CID 11044053
(2R,4aS,6R,7R,9aR)-2-prop-2-enyl-6-[(Z)-5-tri(propan-2-yl)silylpent-2-en-4-ynyl]-4a,6,7,9a-tetrahydro-2H-pyrano[3,2-b]oxepin-7-ol
CID 11189574
(2R,3S,5Z,8R)-8-[(E)-prop-1-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocin-3-ol
CID 11266708
(2S,3S)-3-triethylsilyloxy-2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxypent-4-en-1-ol
CID 11526114
(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol
CID 53465581

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol (CID 11717248) is (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol is C=C[C@H](O)[C@@H]1C=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol?
The InChIKey is ZDAIPBVCLFCTMA-HKBOAZHASA-N. The full InChI is InChI=1S/C21H36O2Si/c1-8-20(22)21-14-13-19(23-21)12-10-9-11-15-24(16(2)3,17(4)5)18(6)7/h8,13-14,16-22H,1,9-10,12H2,2-7H3/t19-,20+,21+/m1/s1.
What are the key properties of (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol?
(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol has a molecular weight of 348.60 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11717248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).