[(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone

C14H26O5Si — CID 134879740

IUPAC[(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone
SMILESCC1(C)CO[C@H](C2OC(C)(C)O[C@H]2C(=O)[Si](C)(C)C)O1
InChIInChI=1S/C14H26O5Si/c1-13(2)8-16-12(19-13)10-9(11(15)20(5,6)7)17-14(3,4)18-10/h9-10,12H,8H2,1-7H3/t9-,10?,12+/m1/s1
InChIKeyZNDPKXSEIZGHQL-MAZPRZIYSA-N
MW302.44 g/mol
LogP2.10
Rot. Bonds3

About [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone

[(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone (PubChem CID 134879740) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone.

Molecular Properties

Compound Name[(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone
PubChem CID134879740
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone
SMILESCC1(C)CO[C@H](C2OC(C)(C)O[C@H]2C(=O)[Si](C)(C)C)O1
InChIInChI=1S/C14H26O5Si/c1-13(2)8-16-12(19-13)10-9(11(15)20(5,6)7)17-14(3,4)18-10/h9-10,12H,8H2,1-7H3/t9-,10?,12+/m1/s1
InChIKeyZNDPKXSEIZGHQL-MAZPRZIYSA-N
XLogP2.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone?
The IUPAC name of [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone (CID 134879740) is [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone.
What is the SMILES notation for [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone?
The canonical SMILES for [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone is CC1(C)CO[C@H](C2OC(C)(C)O[C@H]2C(=O)[Si](C)(C)C)O1.
What is the InChIKey of [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone?
The InChIKey is ZNDPKXSEIZGHQL-MAZPRZIYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-13(2)8-16-12(19-13)10-9(11(15)20(5,6)7)17-14(3,4)18-10/h9-10,12H,8H2,1-7H3/t9-,10?,12+/m1/s1.
What are the key properties of [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone?
[(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone has a molecular weight of 302.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilylmethanone is sourced from PubChem (CID 134879740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).