(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol

C21H38O4Si — CID 11773492

IUPAC(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol
SMILESCC[C@H]1O[C@H]2C[C@H](/C=C/CO)O[C@H]2C/C=C\C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C21H38O4Si/c1-5-18-20(25-26(6-2,7-3)8-4)14-10-9-13-19-21(24-18)16-17(23-19)12-11-15-22/h9-12,17-22H,5-8,13-16H2,1-4H3/b10-9-,12-11+/t17-,18+,19-,20+,21-/m0/s1
InChIKeyCGHJUQZBIXSVJN-QTXLTJSASA-N
MW382.62 g/mol
LogP4.60
Rot. Bonds8

About (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol

(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol (PubChem CID 11773492) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol
PubChem CID11773492
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Name(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol
SMILESCC[C@H]1O[C@H]2C[C@H](/C=C/CO)O[C@H]2C/C=C\C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C21H38O4Si/c1-5-18-20(25-26(6-2,7-3)8-4)14-10-9-13-19-21(24-18)16-17(23-19)12-11-15-22/h9-12,17-22H,5-8,13-16H2,1-4H3/b10-9-,12-11+/t17-,18+,19-,20+,21-/m0/s1
InChIKeyCGHJUQZBIXSVJN-QTXLTJSASA-N
XLogP4.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol with MolForge

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Related Compounds

(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
CID 101349439
5,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-6-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]nona-2,8-dien-1-ol
CID 140089891
(E)-8-((tert-Butyldimethylsilyl)oxy)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)oct-1-en-3-ol
CID 10666139
(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-1-en-3-ol
CID 10668728
(1E,3S,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]undeca-1,4-dien-3-ol
CID 10834724
[(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-ethoxyethoxy)cyclopenten-1-yl]methanol
CID 10980038
(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol
CID 11035735
2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol
CID 11267378
(E)-3-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 16756355
(E)-4-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 70676014
[(2R,3aS,5R,6R,8Z,10aS)-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-6-yl]oxy-triethylsilane
CID 101161525
[(2R,3aS,5R,6S,8Z,10aS)-2-(3-bromopropa-1,2-dienyl)-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-6-yl]oxy-triethylsilane
CID 101199008

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol (CID 11773492) is (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol is CC[C@H]1O[C@H]2C[C@H](/C=C/CO)O[C@H]2C/C=C\C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol?
The InChIKey is CGHJUQZBIXSVJN-QTXLTJSASA-N. The full InChI is InChI=1S/C21H38O4Si/c1-5-18-20(25-26(6-2,7-3)8-4)14-10-9-13-19-21(24-18)16-17(23-19)12-11-15-22/h9-12,17-22H,5-8,13-16H2,1-4H3/b10-9-,12-11+/t17-,18+,19-,20+,21-/m0/s1.
What are the key properties of (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol?
(E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol has a molecular weight of 382.62 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R,3aS,5R,6R,8Z,10aS)-5-ethyl-6-triethylsilyloxy-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11773492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).