(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol

C19H38O6Si — CID 166177095

IUPAC(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol
SMILESC=C[C@@H](CCC)O[C@@H]1[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H38O6Si/c1-9-11-13(10-2)24-17-16(21)15(20)14(25-18(17)22-6)12-23-26(7,8)19(3,4)5/h10,13-18,20-21H,2,9,11-12H2,1,3-8H3/t13-,14+,15+,16-,17-,18-/m0/s1
InChIKeyBJYNRJTUOHJNML-IZPLOLCNSA-N
MW390.59 g/mol
LogP2.84
Rot. Bonds9

About (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol

(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol (PubChem CID 166177095) has the molecular formula C19H38O6Si and a molecular weight of 390.59 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol
PubChem CID166177095
Molecular FormulaC19H38O6Si
Molecular Weight390.59 g/mol
Exact Mass390.24
IUPAC Name(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol
SMILESC=C[C@@H](CCC)O[C@@H]1[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H38O6Si/c1-9-11-13(10-2)24-17-16(21)15(20)14(25-18(17)22-6)12-23-26(7,8)19(3,4)5/h10,13-18,20-21H,2,9,11-12H2,1,3-8H3/t13-,14+,15+,16-,17-,18-/m0/s1
InChIKeyBJYNRJTUOHJNML-IZPLOLCNSA-N
XLogP2.84
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol (CID 166177095) is (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol is C=C[C@@H](CCC)O[C@@H]1[C@@H](OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol?
The InChIKey is BJYNRJTUOHJNML-IZPLOLCNSA-N. The full InChI is InChI=1S/C19H38O6Si/c1-9-11-13(10-2)24-17-16(21)15(20)14(25-18(17)22-6)12-23-26(7,8)19(3,4)5/h10,13-18,20-21H,2,9,11-12H2,1,3-8H3/t13-,14+,15+,16-,17-,18-/m0/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol?
(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol has a molecular weight of 390.59 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(3R)-hex-1-en-3-yl]oxy-6-methoxyoxane-3,4-diol is sourced from PubChem (CID 166177095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).