[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane

C16H30OSi — CID 14608166

IUPAC[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
SMILESCC1(C)C[C@H](CC2CO2)[C@H](/C=C/C[Si](C)(C)C)C1
InChIInChI=1S/C16H30OSi/c1-16(2)10-13(7-6-8-18(3,4)5)14(11-16)9-15-12-17-15/h6-7,13-15H,8-12H2,1-5H3/b7-6+/t13-,14+,15?/m1/s1
InChIKeyKQOMAAQRHVREQT-QEAIVTKASA-N
MW266.50 g/mol
LogP4.72
Rot. Bonds5

About [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane

[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane (PubChem CID 14608166) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
PubChem CID14608166
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
SMILESCC1(C)C[C@H](CC2CO2)[C@H](/C=C/C[Si](C)(C)C)C1
InChIInChI=1S/C16H30OSi/c1-16(2)10-13(7-6-8-18(3,4)5)14(11-16)9-15-12-17-15/h6-7,13-15H,8-12H2,1-5H3/b7-6+/t13-,14+,15?/m1/s1
InChIKeyKQOMAAQRHVREQT-QEAIVTKASA-N
XLogP4.72
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 178270072
CID 178270072
CID 178270073
CID 178270073
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane
CID 129162759
1-(2-Bicyclo[2.2.1]hept-5-enyl)propan-2-yloxy-di(propan-2-yl)silane
CID 173198612
1-(2-Bicyclo[2.2.1]hept-5-enyl)propan-2-yloxy-dipropylsilane
CID 173198640
[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane
CID 10891205
[(Z)-1-[(1S,2R)-4,4-bis(methoxymethyl)-2-methylcyclopentyl]non-2-en-2-yl]-trimethylsilane
CID 11417326
[(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 15129242
[(1S,3aR,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 15129243
[(2S,3aS,4R,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane
CID 15855617
[(2S,3aS,4S,8aS)-2-ethenyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl]oxy-tert-butyl-dimethylsilane
CID 15855618

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane (CID 14608166) is [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane is CC1(C)C[C@H](CC2CO2)[C@H](/C=C/C[Si](C)(C)C)C1.
What is the InChIKey of [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
The InChIKey is KQOMAAQRHVREQT-QEAIVTKASA-N. The full InChI is InChI=1S/C16H30OSi/c1-16(2)10-13(7-6-8-18(3,4)5)14(11-16)9-15-12-17-15/h6-7,13-15H,8-12H2,1-5H3/b7-6+/t13-,14+,15?/m1/s1.
What are the key properties of [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane?
[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane is sourced from PubChem (CID 14608166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).