[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane

C21H42OSi — CID 58918222

IUPAC[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
SMILESCCCC/C=C\CC1[C@@H](CCC(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1C
InChIInChI=1S/C21H42OSi/c1-8-9-10-11-12-13-19-18(4)16-21(22-23(5,6)7)20(19)15-14-17(2)3/h11-12,17-21H,8-10,13-16H2,1-7H3/b12-11-/t18-,19?,20+,21+/m0/s1
InChIKeyLATGKBJUWMNKNG-CGQKJHBUSA-N
MW338.65 g/mol
LogP7.05
Rot. Bonds10

About [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane

[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane (PubChem CID 58918222) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
PubChem CID58918222
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
SMILESCCCC/C=C\CC1[C@@H](CCC(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1C
InChIInChI=1S/C21H42OSi/c1-8-9-10-11-12-13-19-18(4)16-21(22-23(5,6)7)20(19)15-14-17(2)3/h11-12,17-21H,8-10,13-16H2,1-7H3/b12-11-/t18-,19?,20+,21+/m0/s1
InChIKeyLATGKBJUWMNKNG-CGQKJHBUSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?
The IUPAC name of [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane (CID 58918222) is [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane is CCCC/C=C\CC1[C@@H](CCC(C)C)[C@H](O[Si](C)(C)C)C[C@@H]1C.
What is the InChIKey of [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?
The InChIKey is LATGKBJUWMNKNG-CGQKJHBUSA-N. The full InChI is InChI=1S/C21H42OSi/c1-8-9-10-11-12-13-19-18(4)16-21(22-23(5,6)7)20(19)15-14-17(2)3/h11-12,17-21H,8-10,13-16H2,1-7H3/b12-11-/t18-,19?,20+,21+/m0/s1.
What are the key properties of [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?
[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane has a molecular weight of 338.65 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 58918222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).