trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane

C32H60O2Si — CID 54180356

IUPACtrimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane
SMILESC=CCCCCCCOC(CCCC=CC[C@H]1CCC[C@@H]1C=CCCCCCC)CO[Si](C)(C)C
InChIInChI=1S/C32H60O2Si/c1-6-8-10-12-14-18-23-30-25-22-26-31(30)24-19-15-16-20-27-32(29-34-35(3,4)5)33-28-21-17-13-11-9-7-2/h7,15,18-19,23,30-32H,2,6,8-14,16-17,20-22,24-29H2,1,3-5H3/t30-,31-,32?/m0/s1
InChIKeyPBIUBHSCUSKZPX-PZWBPPBVSA-N
MW504.92 g/mol
LogP10.42
Rot. Bonds23

About trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane

trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane (PubChem CID 54180356) has the molecular formula C32H60O2Si and a molecular weight of 504.92 g/mol. Its IUPAC name is trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane
PubChem CID54180356
Molecular FormulaC32H60O2Si
Molecular Weight504.92 g/mol
Exact Mass504.44
IUPAC Nametrimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane
SMILESC=CCCCCCCOC(CCCC=CC[C@H]1CCC[C@@H]1C=CCCCCCC)CO[Si](C)(C)C
InChIInChI=1S/C32H60O2Si/c1-6-8-10-12-14-18-23-30-25-22-26-31(30)24-19-15-16-20-27-32(29-34-35(3,4)5)33-28-21-17-13-11-9-7-2/h7,15,18-19,23,30-32H,2,6,8-14,16-17,20-22,24-29H2,1,3-5H3/t30-,31-,32?/m0/s1
InChIKeyPBIUBHSCUSKZPX-PZWBPPBVSA-N
XLogP10.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.92
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane?
The IUPAC name of trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane (CID 54180356) is trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane.
What is the SMILES notation for trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane?
The canonical SMILES for trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane is C=CCCCCCCOC(CCCC=CC[C@H]1CCC[C@@H]1C=CCCCCCC)CO[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane?
The InChIKey is PBIUBHSCUSKZPX-PZWBPPBVSA-N. The full InChI is InChI=1S/C32H60O2Si/c1-6-8-10-12-14-18-23-30-25-22-26-31(30)24-19-15-16-20-27-32(29-34-35(3,4)5)33-28-21-17-13-11-9-7-2/h7,15,18-19,23,30-32H,2,6,8-14,16-17,20-22,24-29H2,1,3-5H3/t30-,31-,32?/m0/s1.
What are the key properties of trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane?
trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane has a molecular weight of 504.92 g/mol, XLogP of 10.42, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane is sourced from PubChem (CID 54180356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).