(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol

C16H34O3Si — CID 11843752

IUPAC(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol
SMILESC/C=C\[C@H](CO)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-8-9-15(10-17)16(18)11-19-20(12(2)3,13(4)5)14(6)7/h8-9,12-18H,10-11H2,1-7H3/b9-8-/t15-,16+/m1/s1
InChIKeyMGOSBAKGXLEBIG-AISUJJHZSA-N
MW302.53 g/mol
LogP3.72
Rot. Bonds9

About (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol

(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol (PubChem CID 11843752) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol
PubChem CID11843752
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol
SMILESC/C=C\[C@H](CO)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-8-9-15(10-17)16(18)11-19-20(12(2)3,13(4)5)14(6)7/h8-9,12-18H,10-11H2,1-7H3/b9-8-/t15-,16+/m1/s1
InChIKeyMGOSBAKGXLEBIG-AISUJJHZSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
CID 101204271
(Z,2R,3S,4S,5R)-2-methoxy-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-4-ol
CID 11844710
(4S,5R)-4-methyl-6-tri(propan-2-yl)silyloxyhex-2-yne-1,5-diol
CID 102322037
(2R,3S,4R,5S)-3-methyl-4-prop-1-ynyl-1-tri(propan-2-yl)silyloxyhexane-2,5-diol
CID 101369902
(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
CID 11376118
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(1S)-1-(oxan-4-yl)-2-tri(propan-2-yl)silyloxyethanol
CID 168752161
(3R,7S)-7-methyl-8-tri(propan-2-yl)silyloxyoct-1-en-3-ol
CID 11738553
(Z)-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
CID 139691180

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol?
The IUPAC name of (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol (CID 11843752) is (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol?
The canonical SMILES for (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol is C/C=C\[C@H](CO)[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol?
The InChIKey is MGOSBAKGXLEBIG-AISUJJHZSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-8-9-15(10-17)16(18)11-19-20(12(2)3,13(4)5)14(6)7/h8-9,12-18H,10-11H2,1-7H3/b9-8-/t15-,16+/m1/s1.
What are the key properties of (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol?
(2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol has a molecular weight of 302.53 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(Z)-prop-1-enyl]-4-tri(propan-2-yl)silyloxybutane-1,3-diol is sourced from PubChem (CID 11843752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).