(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol

C19H38O4Si — CID 10970397

IUPAC(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
SMILESC=CC[C@H](O)CO[C@@H]1OCCC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O4Si/c1-8-10-17(20)13-22-19-18(11-9-12-21-19)23-24(14(2)3,15(4)5)16(6)7/h8,14-20H,1,9-13H2,2-7H3/t17-,18+,19-/m0/s1
InChIKeyFXXZZVXUDZXLEU-OTWHNJEPSA-N
MW358.60 g/mol
LogP4.64
Rot. Bonds10

About (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol

(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol (PubChem CID 10970397) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
PubChem CID10970397
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
SMILESC=CC[C@H](O)CO[C@@H]1OCCC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O4Si/c1-8-10-17(20)13-22-19-18(11-9-12-21-19)23-24(14(2)3,15(4)5)16(6)7/h8,14-20H,1,9-13H2,2-7H3/t17-,18+,19-/m0/s1
InChIKeyFXXZZVXUDZXLEU-OTWHNJEPSA-N
XLogP4.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.64
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'}

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Related Compounds

(2R)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 11024767
(2R,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(oxan-2-yloxy)oct-7-en-4-ol
CID 15981858
(2R,3S,4S,5S,6S)-5-(((R)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177093
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(((R)-hex-1-en-3-yl)oxy)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177095
(2R,3R,4S,5S,6S)-4-(((S)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,5-diol
CID 166177112
(2R,3S,4S,5S,6S)-5-(((S)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177122
(1R)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 11047426
(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 101153651
(4S,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-ol
CID 102276965
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol
CID 67842017
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 89657965
Tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-4-en-2-yloxy]silane
CID 156679822

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol?
The IUPAC name of (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol (CID 10970397) is (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol.
What is the SMILES notation for (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol?
The canonical SMILES for (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol is C=CC[C@H](O)CO[C@@H]1OCCC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol?
The InChIKey is FXXZZVXUDZXLEU-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-8-10-17(20)13-22-19-18(11-9-12-21-19)23-24(14(2)3,15(4)5)16(6)7/h8,14-20H,1,9-13H2,2-7H3/t17-,18+,19-/m0/s1.
What are the key properties of (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol?
(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol has a molecular weight of 358.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol is sourced from PubChem (CID 10970397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).