(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol

C20H40O4Si — CID 10926826

IUPAC(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol
SMILESC=CC[C@@H](O)CCO[C@H]1OCCC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O4Si/c1-8-10-18(21)12-14-23-20-19(11-9-13-22-20)24-25(15(2)3,16(4)5)17(6)7/h8,15-21H,1,9-14H2,2-7H3/t18-,19+,20-/m1/s1
InChIKeyXUPSYKZHVHFTAL-HSALFYBXSA-N
MW372.62 g/mol
LogP5.03
Rot. Bonds11

About (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol

(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol (PubChem CID 10926826) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol
PubChem CID10926826
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol
SMILESC=CC[C@@H](O)CCO[C@H]1OCCC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O4Si/c1-8-10-18(21)12-14-23-20-19(11-9-13-22-20)24-25(15(2)3,16(4)5)17(6)7/h8,15-21H,1,9-14H2,2-7H3/t18-,19+,20-/m1/s1
InChIKeyXUPSYKZHVHFTAL-HSALFYBXSA-N
XLogP5.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol?
The IUPAC name of (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol (CID 10926826) is (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol.
What is the SMILES notation for (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol?
The canonical SMILES for (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol is C=CC[C@@H](O)CCO[C@H]1OCCC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol?
The InChIKey is XUPSYKZHVHFTAL-HSALFYBXSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-8-10-18(21)12-14-23-20-19(11-9-13-22-20)24-25(15(2)3,16(4)5)17(6)7/h8,15-21H,1,9-14H2,2-7H3/t18-,19+,20-/m1/s1.
What are the key properties of (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol?
(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol has a molecular weight of 372.62 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol is sourced from PubChem (CID 10926826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).