trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane

C32H62O2Si — CID 57124846

IUPACtrimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane
SMILESC=CCCCCCCOCCC(CCCC[C@H]1CCC[C@@H]1C=CCCCCCC)CO[Si](C)(C)C
InChIInChI=1S/C32H62O2Si/c1-6-8-10-12-14-16-22-31-24-20-25-32(31)23-18-17-21-30(29-34-35(3,4)5)26-28-33-27-19-15-13-11-9-7-2/h7,16,22,30-32H,2,6,8-15,17-21,23-29H2,1,3-5H3/t30?,31-,32-/m0/s1
InChIKeyKCMNPUHCLLBRCE-ZPQRHCBNSA-N
MW506.93 g/mol
LogP10.50
Rot. Bonds24

About trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane

trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane (PubChem CID 57124846) has the molecular formula C32H62O2Si and a molecular weight of 506.93 g/mol. Its IUPAC name is trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane
PubChem CID57124846
Molecular FormulaC32H62O2Si
Molecular Weight506.93 g/mol
Exact Mass506.45
IUPAC Nametrimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane
SMILESC=CCCCCCCOCCC(CCCC[C@H]1CCC[C@@H]1C=CCCCCCC)CO[Si](C)(C)C
InChIInChI=1S/C32H62O2Si/c1-6-8-10-12-14-16-22-31-24-20-25-32(31)23-18-17-21-30(29-34-35(3,4)5)26-28-33-27-19-15-13-11-9-7-2/h7,16,22,30-32H,2,6,8-15,17-21,23-29H2,1,3-5H3/t30?,31-,32-/m0/s1
InChIKeyKCMNPUHCLLBRCE-ZPQRHCBNSA-N
XLogP10.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.93
LogP ≤ 510.50
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'}

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Related Compounds

[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 11246945
trimethyl-[2-oct-7-enoxy-8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-enoxy]silane
CID 54180356
Tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane
CID 57070018
trans-(1S,2S)-1-(7-ethoxyheptyl)-2-oct-1-enylcyclopentane
CID 70572668
trimethyl-[(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoxy]silane
CID 70575538
3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl-trimethylsilane
CID 90951281
9-(2-Bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane
CID 123205919
11-(2-Bicyclo[2.2.1]hept-5-enyl)undecoxy-dimethylsilane
CID 124035261
triethyl-[7-[(1R,2R)-2-oct-1-enyl-5-triethylsilyloxycyclopentyl]heptoxy]silane
CID 153776196
[(E)-3-[(1S,2R,3S,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane
CID 11386419
[(Z)-3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl]-trimethylsilane
CID 11827161
3-[(1R,2S,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylcyclopentyl]prop-2-enyl-trimethylsilane
CID 57372727

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane?
The IUPAC name of trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane (CID 57124846) is trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane.
What is the SMILES notation for trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane?
The canonical SMILES for trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane is C=CCCCCCCOCCC(CCCC[C@H]1CCC[C@@H]1C=CCCCCCC)CO[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane?
The InChIKey is KCMNPUHCLLBRCE-ZPQRHCBNSA-N. The full InChI is InChI=1S/C32H62O2Si/c1-6-8-10-12-14-16-22-31-24-20-25-32(31)23-18-17-21-30(29-34-35(3,4)5)26-28-33-27-19-15-13-11-9-7-2/h7,16,22,30-32H,2,6,8-15,17-21,23-29H2,1,3-5H3/t30?,31-,32-/m0/s1.
What are the key properties of trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane?
trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane has a molecular weight of 506.93 g/mol, XLogP of 10.50, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-oct-7-enoxyethyl)-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]silane is sourced from PubChem (CID 57124846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).