2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one

C16H32O3Si — CID 71192173

IUPAC2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one
SMILESCC1(C)OCC[C@@H](C(C)(C)C(=O)CCC[Si](C)(C)C)O1
InChIInChI=1S/C16H32O3Si/c1-15(2,13(17)9-8-12-20(5,6)7)14-10-11-18-16(3,4)19-14/h14H,8-12H2,1-7H3/t14-/m0/s1
InChIKeyLQLPGIZINXDZKP-AWEZNQCLSA-N
MW300.51 g/mol
LogP4.24
Rot. Bonds6

About 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one

2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one (PubChem CID 71192173) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one
PubChem CID71192173
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one
SMILESCC1(C)OCC[C@@H](C(C)(C)C(=O)CCC[Si](C)(C)C)O1
InChIInChI=1S/C16H32O3Si/c1-15(2,13(17)9-8-12-20(5,6)7)14-10-11-18-16(3,4)19-14/h14H,8-12H2,1-7H3/t14-/m0/s1
InChIKeyLQLPGIZINXDZKP-AWEZNQCLSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one?
The IUPAC name of 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one (CID 71192173) is 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one is CC1(C)OCC[C@@H](C(C)(C)C(=O)CCC[Si](C)(C)C)O1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one?
The InChIKey is LQLPGIZINXDZKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-15(2,13(17)9-8-12-20(5,6)7)14-10-11-18-16(3,4)19-14/h14H,8-12H2,1-7H3/t14-/m0/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one?
2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one has a molecular weight of 300.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methyl-6-trimethylsilylhexan-3-one is sourced from PubChem (CID 71192173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).