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

C21H42OSi — CID 58918223

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

[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane (PubChem CID 58918223) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
• PubChem CID: 58918223
• Molecular Formula: C21H42OSi
• Molecular Weight: 338.65 g/mol
• Exact Mass: 338.30
• IUPAC Name: [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
• SMILES: CCCC/C=C\C[C@@H]1[C@@H](CCC(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C
• InChI: InChI=1S/C21H42OSi/c1-8-9-10-11-12-13-20-19(15-14-17(2)3)18(4)16-21(20)22-23(5,6)7/h11-12,17-21H,8-10,13-16H2,1-7H3/b12-11-/t18-,19+,20-,21+/m1/s1
• InChIKey: VHXLNWJJJHUWME-JLYVJYITSA-N
• XLogP: 7.05
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.65
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?

The IUPAC name of [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane (CID 58918223) is [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane.

What is the SMILES notation for [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?

The canonical SMILES for [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane is CCCC/C=C\C[C@@H]1[C@@H](CCC(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C.

What is the InChIKey of [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?

The InChIKey is VHXLNWJJJHUWME-JLYVJYITSA-N. The full InChI is InChI=1S/C21H42OSi/c1-8-9-10-11-12-13-20-19(15-14-17(2)3)18(4)16-21(20)22-23(5,6)7/h11-12,17-21H,8-10,13-16H2,1-7H3/b12-11-/t18-,19+,20-,21+/m1/s1.

What are the key properties of [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane?

[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(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 [(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 58918223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).