propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate

C16H28O2Si — CID 11055083

IUPACpropan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate
SMILESC=C(C[Si](C)(C)C)[C@]1(CC(=O)OC(C)C)C=CCC1
InChIInChI=1S/C16H28O2Si/c1-13(2)18-15(17)11-16(9-7-8-10-16)14(3)12-19(4,5)6/h7,9,13H,3,8,10-12H2,1-2,4-6H3/t16-/m1/s1
InChIKeyPNDNVNKJFQVQJX-MRXNPFEDSA-N
MW280.48 g/mol
LogP4.56
Rot. Bonds6

About propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate

propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate (PubChem CID 11055083) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate
PubChem CID11055083
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Namepropan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate
SMILESC=C(C[Si](C)(C)C)[C@]1(CC(=O)OC(C)C)C=CCC1
InChIInChI=1S/C16H28O2Si/c1-13(2)18-15(17)11-16(9-7-8-10-16)14(3)12-19(4,5)6/h7,9,13H,3,8,10-12H2,1-2,4-6H3/t16-/m1/s1
InChIKeyPNDNVNKJFQVQJX-MRXNPFEDSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.56
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 propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 11109321
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 15921989
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetate
CID 134916264
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 134983703
ethyl 2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]cyclopent-2-en-1-yl]acetate
CID 135082717
ethyl 2-[(1R)-1-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-yl]acetate
CID 135082718
Ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
CID 164665760
(3aR,7aR)-3-trimethylsilyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 21677060
Ethyl linalyl acetate
CID 14942085
Propan-2-yl 2-(1-methylcyclopent-2-en-1-yl)acetate
CID 166520674

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate (CID 11055083) is propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate is C=C(C[Si](C)(C)C)[C@]1(CC(=O)OC(C)C)C=CCC1.
What is the InChIKey of propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate?
The InChIKey is PNDNVNKJFQVQJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-13(2)18-15(17)11-16(9-7-8-10-16)14(3)12-19(4,5)6/h7,9,13H,3,8,10-12H2,1-2,4-6H3/t16-/m1/s1.
What are the key properties of propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate?
propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate has a molecular weight of 280.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(1R)-1-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 11055083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).