[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane

C23H36OSi — CID 164669227

IUPAC[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(C(CCCCc3ccccc3)O[Si](C)(C)C)[C@@H]1C2
InChIInChI=1S/C23H36OSi/c1-23(2)19-15-16-20(21(23)17-19)22(24-25(3,4)5)14-10-9-13-18-11-7-6-8-12-18/h6-8,11-12,16,19,21-22H,9-10,13-15,17H2,1-5H3/t19-,21-,22?/m0/s1
InChIKeyIWOBDYGYYZFPMJ-QUCQDJGISA-N
MW356.63 g/mol
LogP6.61
Rot. Bonds8

About [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane

[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane (PubChem CID 164669227) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane
PubChem CID164669227
Molecular FormulaC23H36OSi
Molecular Weight356.63 g/mol
Exact Mass356.25
IUPAC Name[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane
SMILESCC1(C)[C@H]2CC=C(C(CCCCc3ccccc3)O[Si](C)(C)C)[C@@H]1C2
InChIInChI=1S/C23H36OSi/c1-23(2)19-15-16-20(21(23)17-19)22(24-25(3,4)5)14-10-9-13-18-11-7-6-8-12-18/h6-8,11-12,16,19,21-22H,9-10,13-15,17H2,1-5H3/t19-,21-,22?/m0/s1
InChIKeyIWOBDYGYYZFPMJ-QUCQDJGISA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 56.61
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 [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane?
The IUPAC name of [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane (CID 164669227) is [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane.
What is the SMILES notation for [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane?
The canonical SMILES for [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane is CC1(C)[C@H]2CC=C(C(CCCCc3ccccc3)O[Si](C)(C)C)[C@@H]1C2.
What is the InChIKey of [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane?
The InChIKey is IWOBDYGYYZFPMJ-QUCQDJGISA-N. The full InChI is InChI=1S/C23H36OSi/c1-23(2)19-15-16-20(21(23)17-19)22(24-25(3,4)5)14-10-9-13-18-11-7-6-8-12-18/h6-8,11-12,16,19,21-22H,9-10,13-15,17H2,1-5H3/t19-,21-,22?/m0/s1.
What are the key properties of [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane?
[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane has a molecular weight of 356.63 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane is sourced from PubChem (CID 164669227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).