methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate

C15H28O2Si — CID 134901015

IUPACmethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CCC[C@H]1/C=C/C(C)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(18(3,4)5)9-10-13-7-6-8-14(13)11-15(16)17-2/h9-10,12-14H,6-8,11H2,1-5H3/b10-9+/t12?,13-,14+/m0/s1
InChIKeyNEPGIBHTVKGTRY-NISXXQHKSA-N
MW268.47 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate

methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate (PubChem CID 134901015) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
PubChem CID134901015
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Namemethyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CCC[C@H]1/C=C/C(C)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(18(3,4)5)9-10-13-7-6-8-14(13)11-15(16)17-2/h9-10,12-14H,6-8,11H2,1-5H3/b10-9+/t12?,13-,14+/m0/s1
InChIKeyNEPGIBHTVKGTRY-NISXXQHKSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.25
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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Related Compounds

methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-(2-aminocyclopentyl)acetate;hydrochloride
CID 105447728
methyl 2-[(1S,2S)-2-pentylcyclopentyl]acetate
CID 68845600
methyl 2-[(1S,2S,6R)-2-bicyclo[4.1.0]heptanyl]acetate
CID 10986655
methyl 2-[(1R,2S)-2-(bromomethyl)cyclohexyl]acetate
CID 135016573
methyl 2-[(3aS,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]acetate
CID 124744774
methyl 7-[(1S,2S)-2-but-1-enylcyclopentyl]heptanoate
CID 57038707
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
CID 71443239
methyl (Z)-7-[(1R,2R)-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]hept-5-enoate
CID 101083438
methyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)acetate
CID 167735471
methyl 3-(2-aminocyclopentyl)propanoate
CID 105434759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate (CID 134901015) is methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate is COC(=O)C[C@H]1CCC[C@H]1/C=C/C(C)[Si](C)(C)C.
What is the InChIKey of methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate?
The InChIKey is NEPGIBHTVKGTRY-NISXXQHKSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(18(3,4)5)9-10-13-7-6-8-14(13)11-15(16)17-2/h9-10,12-14H,6-8,11H2,1-5H3/b10-9+/t12?,13-,14+/m0/s1.
What are the key properties of methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate?
methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate has a molecular weight of 268.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate is sourced from PubChem (CID 134901015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).