(3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one

C17H34O2Si — CID 10957505

IUPAC(3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one
SMILESC=C(CC)CC(=O)[C@@H](C)[C@@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-8-14(6)13-16(18)15(7)17(9-2)19-20(10-3,11-4)12-5/h15,17H,6,8-13H2,1-5,7H3/t15-,17-/m1/s1
InChIKeyLRQGOIGVULTPHS-NVXWUHKLSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds11

About (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one

(3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one (PubChem CID 10957505) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one.

Molecular Properties

Compound Name(3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one
PubChem CID10957505
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one
SMILESC=C(CC)CC(=O)[C@@H](C)[C@@H](CC)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O2Si/c1-8-14(6)13-16(18)15(7)17(9-2)19-20(10-3,11-4)12-5/h15,17H,6,8-13H2,1-5,7H3/t15-,17-/m1/s1
InChIKeyLRQGOIGVULTPHS-NVXWUHKLSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one?
The IUPAC name of (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one (CID 10957505) is (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one.
What is the SMILES notation for (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one?
The canonical SMILES for (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one is C=C(CC)CC(=O)[C@@H](C)[C@@H](CC)O[Si](CC)(CC)CC.
What is the InChIKey of (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one?
The InChIKey is LRQGOIGVULTPHS-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-8-14(6)13-16(18)15(7)17(9-2)19-20(10-3,11-4)12-5/h15,17H,6,8-13H2,1-5,7H3/t15-,17-/m1/s1.
What are the key properties of (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one?
(3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one has a molecular weight of 298.54 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-7-methylidene-3-triethylsilyloxynonan-5-one is sourced from PubChem (CID 10957505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).