(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol

C19H38O3Si — CID 178184676

IUPAC(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol
SMILESC=CC[C@@H]1O[C@@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H]1O
InChIInChI=1S/C19H38O3Si/c1-8-10-19-18(20)13-17(22-19)11-9-12-21-23(14(2)3,15(4)5)16(6)7/h8,14-20H,1,9-13H2,2-7H3/t17-,18+,19-/m0/s1
InChIKeyAXBDLVMSQSWFON-OTWHNJEPSA-N
MW342.60 g/mol
LogP5.05
Rot. Bonds10

About (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol

(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol (PubChem CID 178184676) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol
PubChem CID178184676
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol
SMILESC=CC[C@@H]1O[C@@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H]1O
InChIInChI=1S/C19H38O3Si/c1-8-10-19-18(20)13-17(22-19)11-9-12-21-23(14(2)3,15(4)5)16(6)7/h8,14-20H,1,9-13H2,2-7H3/t17-,18+,19-/m0/s1
InChIKeyAXBDLVMSQSWFON-OTWHNJEPSA-N
XLogP5.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(2s,3s,5s)-5-[(1s)-1-Hydroxydec-9-en-1-yl]-2-pentyltetrahydrofuran-3-ol
CID 11077855
(6s,7s,9r,10r)-6,9-Epoxynonadec-18-ene-7,10-diol
CID 11120550
5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol
CID 494498
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(1R)-1-[(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]but-3-en-1-ol
CID 11179481
(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
CID 11846081
(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
CID 50915370
(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-ol
CID 56594145
3-Tri(propan-2-yl)silyloxynon-1-en-4-ol
CID 86173982
5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 91039345
(6aR,8S,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 101471318
(6aR,8S)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 134830804

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol?
The IUPAC name of (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol (CID 178184676) is (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol is C=CC[C@@H]1O[C@@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H]1O.
What is the InChIKey of (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol?
The InChIKey is AXBDLVMSQSWFON-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-8-10-19-18(20)13-17(22-19)11-9-12-21-23(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,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol?
(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol has a molecular weight of 342.60 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol is sourced from PubChem (CID 178184676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).