(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one

C11H20OSi — CID 10856412

IUPAC(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
SMILESC[C@@H]1C=CC(=O)C[C@@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20OSi/c1-9-5-6-10(12)8-11(7-9)13(2,3)4/h5-6,9,11H,7-8H2,1-4H3/t9-,11+/m1/s1
InChIKeyKEPBLTDVPKUWPP-KOLCDFICSA-N
MW196.37 g/mol
LogP3.25
Rot. Bonds1

About (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one

(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one (PubChem CID 10856412) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one.

Molecular Properties

Compound Name(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
PubChem CID10856412
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one
SMILESC[C@@H]1C=CC(=O)C[C@@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20OSi/c1-9-5-6-10(12)8-11(7-9)13(2,3)4/h5-6,9,11H,7-8H2,1-4H3/t9-,11+/m1/s1
InChIKeyKEPBLTDVPKUWPP-KOLCDFICSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
CID 126757319
4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
CID 21296243
4-methylcyclooct-2-en-1-one
CID 91000254
1,4a,8,8a-tetrahydronaphthalene-2,7-dione
CID 123164314
(3S)-3-trimethylsilylcyclopentan-1-one
CID 14001619
6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 19835402
(1S,3R,10R)-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-ene-5,7-dione
CID 164511923
(5R)-2-methyl-5-trimethylsilylcyclohex-2-en-1-one
CID 15277926
(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
5-trimethylsilylcyclohexane-1,3-dione
CID 71393140
(4aS,8aS)-1,3,4,4a,8,8a-hexahydronaphthalene-2,7-dione
CID 101092885

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one?
The IUPAC name of (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one (CID 10856412) is (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one.
What is the SMILES notation for (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one?
The canonical SMILES for (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one is C[C@@H]1C=CC(=O)C[C@@H]([Si](C)(C)C)C1.
What is the InChIKey of (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one?
The InChIKey is KEPBLTDVPKUWPP-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20OSi/c1-9-5-6-10(12)8-11(7-9)13(2,3)4/h5-6,9,11H,7-8H2,1-4H3/t9-,11+/m1/s1.
What are the key properties of (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one?
(4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one has a molecular weight of 196.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-methyl-6-trimethylsilylcyclohept-2-en-1-one is sourced from PubChem (CID 10856412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).