(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one

C16H26O3Si — CID 15699670

IUPAC(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one
SMILESCC1=C2CC(=O)C=C2CC[C@@H]1OCOCC[Si](C)(C)C
InChIInChI=1S/C16H26O3Si/c1-12-15-10-14(17)9-13(15)5-6-16(12)19-11-18-7-8-20(2,3)4/h9,16H,5-8,10-11H2,1-4H3/t16-/m0/s1
InChIKeyDRGJFCVWXPGKHD-INIZCTEOSA-N
MW294.47 g/mol
LogP3.69
Rot. Bonds6

About (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one

(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one (PubChem CID 15699670) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one.

Molecular Properties

Compound Name(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one
PubChem CID15699670
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one
SMILESCC1=C2CC(=O)C=C2CC[C@@H]1OCOCC[Si](C)(C)C
InChIInChI=1S/C16H26O3Si/c1-12-15-10-14(17)9-13(15)5-6-16(12)19-11-18-7-8-20(2,3)4/h9,16H,5-8,10-11H2,1-4H3/t16-/m0/s1
InChIKeyDRGJFCVWXPGKHD-INIZCTEOSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one?
The IUPAC name of (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one (CID 15699670) is (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one.
What is the SMILES notation for (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one?
The canonical SMILES for (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one is CC1=C2CC(=O)C=C2CC[C@@H]1OCOCC[Si](C)(C)C.
What is the InChIKey of (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one?
The InChIKey is DRGJFCVWXPGKHD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-12-15-10-14(17)9-13(15)5-6-16(12)19-11-18-7-8-20(2,3)4/h9,16H,5-8,10-11H2,1-4H3/t16-/m0/s1.
What are the key properties of (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one?
(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one has a molecular weight of 294.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one is sourced from PubChem (CID 15699670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).