(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole

C16H28O2Si — CID 134854941

IUPAC(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole
SMILESC=C[C@H](C)[C@H]1C=C2C[C@@H](CCC)O[Si@@]2(C(C)(C)C)O1
InChIInChI=1S/C16H28O2Si/c1-7-9-13-10-14-11-15(12(3)8-2)18-19(14,17-13)16(4,5)6/h8,11-13,15H,2,7,9-10H2,1,3-6H3/t12-,13+,15+,19+/m0/s1
InChIKeyNVJUUXOJESXPNN-FAYLSGKYSA-N
MW280.48 g/mol
LogP4.50
Rot. Bonds4

About (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole

(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole (PubChem CID 134854941) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole.

Molecular Properties

Compound Name(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole
PubChem CID134854941
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole
SMILESC=C[C@H](C)[C@H]1C=C2C[C@@H](CCC)O[Si@@]2(C(C)(C)C)O1
InChIInChI=1S/C16H28O2Si/c1-7-9-13-10-14-11-15(12(3)8-2)18-19(14,17-13)16(4,5)6/h8,11-13,15H,2,7,9-10H2,1,3-6H3/t12-,13+,15+,19+/m0/s1
InChIKeyNVJUUXOJESXPNN-FAYLSGKYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole with MolForge

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Related Compounds

(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde
CID 134854916
(3R,5S)-2,2-ditert-butyl-3-propan-2-yl-5-prop-2-enyloxasilolane
CID 102372352
(3E)-3-(hydroxymethylidene)-5-propyloxolan-2-one
CID 45083163
1-methyl-3-propylcyclobutene
CID 14434507
2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole
CID 121293249
3-ethenyl-2-propyl-2,5-dihydrofuran
CID 142713052
(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one
CID 130736036
(4R,5S)-2,2-ditert-butyl-4-propan-2-yl-5-prop-2-enyloxasilolane
CID 11033342
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2S)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tert-butyl-dimethylsilane
CID 89249828
(3S,5S)-2,2-ditert-butyl-3-methyl-5-prop-2-enyloxasilolane
CID 102092065
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
4-methyl-5-propyloxan-2-one
CID 89207971

Frequently Asked Questions

What is the IUPAC name of (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole?
The IUPAC name of (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole (CID 134854941) is (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole.
What is the SMILES notation for (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole?
The canonical SMILES for (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole is C=C[C@H](C)[C@H]1C=C2C[C@@H](CCC)O[Si@@]2(C(C)(C)C)O1.
What is the InChIKey of (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole?
The InChIKey is NVJUUXOJESXPNN-FAYLSGKYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-7-9-13-10-14-11-15(12(3)8-2)18-19(14,17-13)16(4,5)6/h8,11-13,15H,2,7,9-10H2,1,3-6H3/t12-,13+,15+,19+/m0/s1.
What are the key properties of (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole?
(2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole has a molecular weight of 280.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,7S)-5-[(2S)-but-3-en-2-yl]-7-tert-butyl-2-propyl-3,5-dihydro-2H-oxasilolo[2,3-b]oxasilole is sourced from PubChem (CID 134854941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).