(6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one

C18H32O2Si — CID 14285706

IUPAC(6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one
SMILESCC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CCC(C)=CC1=O
InChIInChI=1S/C18H32O2Si/c1-14(2)9-8-12-18(4,20-21(5,6)7)16-11-10-15(3)13-17(16)19/h9,13,16H,8,10-12H2,1-7H3/t16-,18+/m1/s1
InChIKeyRRQSFCSQLHPJMM-AEFFLSMTSA-N
MW308.54 g/mol
LogP5.27
Rot. Bonds6

About (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one

(6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one (PubChem CID 14285706) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one
PubChem CID14285706
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one
SMILESCC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CCC(C)=CC1=O
InChIInChI=1S/C18H32O2Si/c1-14(2)9-8-12-18(4,20-21(5,6)7)16-11-10-15(3)13-17(16)19/h9,13,16H,8,10-12H2,1-7H3/t16-,18+/m1/s1
InChIKeyRRQSFCSQLHPJMM-AEFFLSMTSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.27
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 (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one (CID 14285706) is (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one is CC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@@H]1CCC(C)=CC1=O.
What is the InChIKey of (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one?
The InChIKey is RRQSFCSQLHPJMM-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-14(2)9-8-12-18(4,20-21(5,6)7)16-11-10-15(3)13-17(16)19/h9,13,16H,8,10-12H2,1-7H3/t16-,18+/m1/s1.
What are the key properties of (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one?
(6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one has a molecular weight of 308.54 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 14285706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).