(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one

C20H38O5Si — CID 134931828

IUPAC(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one
SMILESCC(C)[Si](OCC[C@H]1CC(=O)C[C@@H](CC2OCCO2)O1)(C(C)C)C(C)C
InChIInChI=1S/C20H38O5Si/c1-14(2)26(15(3)4,16(5)6)24-8-7-18-11-17(21)12-19(25-18)13-20-22-9-10-23-20/h14-16,18-20H,7-13H2,1-6H3/t18-,19-/m0/s1
InChIKeyVLYWVAJJLRDEQR-OALUTQOASA-N
MW386.61 g/mol
LogP4.45
Rot. Bonds9

About (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one

(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one (PubChem CID 134931828) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one.

Molecular Properties

Compound Name(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one
PubChem CID134931828
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one
SMILESCC(C)[Si](OCC[C@H]1CC(=O)C[C@@H](CC2OCCO2)O1)(C(C)C)C(C)C
InChIInChI=1S/C20H38O5Si/c1-14(2)26(15(3)4,16(5)6)24-8-7-18-11-17(21)12-19(25-18)13-20-22-9-10-23-20/h14-16,18-20H,7-13H2,1-6H3/t18-,19-/m0/s1
InChIKeyVLYWVAJJLRDEQR-OALUTQOASA-N
XLogP4.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one
CID 134931600
7-[Tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxolan-2-yl)heptan-3-one
CID 173715717
1-[(4S)-2-methyl-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
CID 11002455
1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-2-one
CID 102368445
1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one
CID 122215858

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one?
The IUPAC name of (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one (CID 134931828) is (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one.
What is the SMILES notation for (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one?
The canonical SMILES for (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one is CC(C)[Si](OCC[C@H]1CC(=O)C[C@@H](CC2OCCO2)O1)(C(C)C)C(C)C.
What is the InChIKey of (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one?
The InChIKey is VLYWVAJJLRDEQR-OALUTQOASA-N. The full InChI is InChI=1S/C20H38O5Si/c1-14(2)26(15(3)4,16(5)6)24-8-7-18-11-17(21)12-19(25-18)13-20-22-9-10-23-20/h14-16,18-20H,7-13H2,1-6H3/t18-,19-/m0/s1.
What are the key properties of (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one?
(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one has a molecular weight of 386.61 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one is sourced from PubChem (CID 134931828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).