[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane

C21H34OSi — CID 10687915

IUPAC[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane
SMILESC=C[C@]1(O[Si](C)(C)C)CCCCC[C@@H]1CCCc1ccccc1
InChIInChI=1S/C21H34OSi/c1-5-21(22-23(2,3)4)18-11-7-10-16-20(21)17-12-15-19-13-8-6-9-14-19/h5-6,8-9,13-14,20H,1,7,10-12,15-18H2,2-4H3/t20-,21+/m1/s1
InChIKeyRDFINYCJFUZRCZ-RTWAWAEBSA-N
MW330.59 g/mol
LogP6.37
Rot. Bonds7

About [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane

[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane (PubChem CID 10687915) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane
PubChem CID10687915
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane
SMILESC=C[C@]1(O[Si](C)(C)C)CCCCC[C@@H]1CCCc1ccccc1
InChIInChI=1S/C21H34OSi/c1-5-21(22-23(2,3)4)18-11-7-10-16-20(21)17-12-15-19-13-8-6-9-14-19/h5-6,8-9,13-14,20H,1,7,10-12,15-18H2,2-4H3/t20-,21+/m1/s1
InChIKeyRDFINYCJFUZRCZ-RTWAWAEBSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 56.37
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'}

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Related Compounds

[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene
CID 156540486
(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
CID 44563173
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
3-(1-methylcyclohexyl)pent-4-enylbenzene
CID 15445454
(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane
CID 102357883
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
CID 106873775
3-[1-(iodomethyl)cyclopentyl]oxypropylbenzene
CID 114773849
2-phenylethylcyclooctane
CID 54073487
2-(3-phenylpropyl)cyclotetradecan-1-one
CID 140989755
2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83209392
benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142033004
trimethyl-[(3-phenyl-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[e]oxazin-9a-yl)oxy]silane
CID 14590234

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane?
The IUPAC name of [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane (CID 10687915) is [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane is C=C[C@]1(O[Si](C)(C)C)CCCCC[C@@H]1CCCc1ccccc1.
What is the InChIKey of [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane?
The InChIKey is RDFINYCJFUZRCZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H34OSi/c1-5-21(22-23(2,3)4)18-11-7-10-16-20(21)17-12-15-19-13-8-6-9-14-19/h5-6,8-9,13-14,20H,1,7,10-12,15-18H2,2-4H3/t20-,21+/m1/s1.
What are the key properties of [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane?
[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane has a molecular weight of 330.59 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane is sourced from PubChem (CID 10687915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).