(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one

C16H24O2Si — CID 11780805

IUPAC(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
SMILESCC1=C(O[Si](C)(C)C)C[C@H]2CC(=O)[C@@]12C1=CCCC1
InChIInChI=1S/C16H24O2Si/c1-11-14(18-19(2,3)4)9-13-10-15(17)16(11,13)12-7-5-6-8-12/h7,13H,5-6,8-10H2,1-4H3/t13-,16+/m0/s1
InChIKeyJJNGDRHPHSWHGC-XJKSGUPXSA-N
MW276.45 g/mol
LogP4.20
Rot. Bonds3

About (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one

(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one (PubChem CID 11780805) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
PubChem CID11780805
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one
SMILESCC1=C(O[Si](C)(C)C)C[C@H]2CC(=O)[C@@]12C1=CCCC1
InChIInChI=1S/C16H24O2Si/c1-11-14(18-19(2,3)4)9-13-10-15(17)16(11,13)12-7-5-6-8-12/h7,13H,5-6,8-10H2,1-4H3/t13-,16+/m0/s1
InChIKeyJJNGDRHPHSWHGC-XJKSGUPXSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.20
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'}

Analyze (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one (CID 11780805) is (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one is CC1=C(O[Si](C)(C)C)C[C@H]2CC(=O)[C@@]12C1=CCCC1.
What is the InChIKey of (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is JJNGDRHPHSWHGC-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-11-14(18-19(2,3)4)9-13-10-15(17)16(11,13)12-7-5-6-8-12/h7,13H,5-6,8-10H2,1-4H3/t13-,16+/m0/s1.
What are the key properties of (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one?
(1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 276.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-(cyclopenten-1-yl)-4-methyl-3-trimethylsilyloxybicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 11780805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).