trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane

C24H46OSi — CID 70575538

IUPACtrimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C\CCC(C)CO[Si](C)(C)C
InChIInChI=1S/C24H46OSi/c1-6-7-8-9-10-13-17-23-19-15-20-24(23)18-14-11-12-16-22(2)21-25-26(3,4)5/h11,13-14,17,22-24H,6-10,12,15-16,18-21H2,1-5H3/b14-11-,17-13+/t22?,23-,24-/m0/s1
InChIKeyRDSQPGLRCXLOER-BYXRTKLOSA-N
MW378.72 g/mol
LogP8.14
Rot. Bonds14

About trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane

trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane (PubChem CID 70575538) has the molecular formula C24H46OSi and a molecular weight of 378.72 g/mol. Its IUPAC name is trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane
PubChem CID70575538
Molecular FormulaC24H46OSi
Molecular Weight378.72 g/mol
Exact Mass378.33
IUPAC Nametrimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C\CCC(C)CO[Si](C)(C)C
InChIInChI=1S/C24H46OSi/c1-6-7-8-9-10-13-17-23-19-15-20-24(23)18-14-11-12-16-22(2)21-25-26(3,4)5/h11,13-14,17,22-24H,6-10,12,15-16,18-21H2,1-5H3/b14-11-,17-13+/t22?,23-,24-/m0/s1
InChIKeyRDSQPGLRCXLOER-BYXRTKLOSA-N
XLogP8.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.72
LogP ≤ 58.14
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 trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane?
The IUPAC name of trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane (CID 70575538) is trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane.
What is the SMILES notation for trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane?
The canonical SMILES for trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane is CCCCCC/C=C/[C@H]1CCC[C@@H]1C/C=C\CCC(C)CO[Si](C)(C)C.
What is the InChIKey of trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane?
The InChIKey is RDSQPGLRCXLOER-BYXRTKLOSA-N. The full InChI is InChI=1S/C24H46OSi/c1-6-7-8-9-10-13-17-23-19-15-20-24(23)18-14-11-12-16-22(2)21-25-26(3,4)5/h11,13-14,17,22-24H,6-10,12,15-16,18-21H2,1-5H3/b14-11-,17-13+/t22?,23-,24-/m0/s1.
What are the key properties of trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane?
trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane has a molecular weight of 378.72 g/mol, XLogP of 8.14, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane is sourced from PubChem (CID 70575538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).