1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one

C16H32O4Si — CID 122215858

IUPAC1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one
SMILESCC(=O)C[C@H]1OCO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-11(2)21(12(3)4,13(5)6)20-9-16-15(8-14(7)17)18-10-19-16/h11-13,15-16H,8-10H2,1-7H3/t15-,16-/m1/s1
InChIKeyCCOLLAPUYRASIQ-HZPDHXFCSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds8

About 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one

1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one (PubChem CID 122215858) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one
PubChem CID122215858
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one
SMILESCC(=O)C[C@H]1OCO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-11(2)21(12(3)4,13(5)6)20-9-16-15(8-14(7)17)18-10-19-16/h11-13,15-16H,8-10H2,1-7H3/t15-,16-/m1/s1
InChIKeyCCOLLAPUYRASIQ-HZPDHXFCSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
1-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
CID 134856017
(2S,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one
CID 134931600
(2R,6S)-2-(1,3-dioxolan-2-ylmethyl)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-4-one
CID 134931828
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 59071259
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 67266111
(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 67266112
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione
CID 10990729
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
CID 11393807
1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one
CID 11514980
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propanal
CID 12156623

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one?
The IUPAC name of 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one (CID 122215858) is 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one.
What is the SMILES notation for 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one?
The canonical SMILES for 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one is CC(=O)C[C@H]1OCO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one?
The InChIKey is CCOLLAPUYRASIQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-11(2)21(12(3)4,13(5)6)20-9-16-15(8-14(7)17)18-10-19-16/h11-13,15-16H,8-10H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one?
1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one has a molecular weight of 316.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one is sourced from PubChem (CID 122215858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).