[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane

C24H48OSi — CID 88770784

IUPAC[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CCCCC(CC)CO[Si](C)(C)C
InChIInChI=1S/C24H48OSi/c1-6-8-9-10-11-12-17-23-19-15-20-24(23)18-14-13-16-22(7-2)21-25-26(3,4)5/h12,17,22-24H,6-11,13-16,18-21H2,1-5H3/t22?,23-,24-/m0/s1
InChIKeyFENNMAWWKLXZDI-VYCPFJESSA-N
MW380.73 g/mol
LogP8.37
Rot. Bonds15

About [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane

[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane (PubChem CID 88770784) has the molecular formula C24H48OSi and a molecular weight of 380.73 g/mol. Its IUPAC name is [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane
PubChem CID88770784
Molecular FormulaC24H48OSi
Molecular Weight380.73 g/mol
Exact Mass380.35
IUPAC Name[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CCCCC(CC)CO[Si](C)(C)C
InChIInChI=1S/C24H48OSi/c1-6-8-9-10-11-12-17-23-19-15-20-24(23)18-14-13-16-22(7-2)21-25-26(3,4)5/h12,17,22-24H,6-11,13-16,18-21H2,1-5H3/t22?,23-,24-/m0/s1
InChIKeyFENNMAWWKLXZDI-VYCPFJESSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.73
LogP ≤ 58.37
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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Related Compounds

5-(Trimethylsiloxymethyl)norbornene
CID 14197921
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073
Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
CID 135070895
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
tert-butyl-dimethyl-[(E,2R,4S,8R)-2,4,6,8-tetramethyldec-6-enoxy]silane
CID 46187222
[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 11246945
3-(5-[(1,1-Dimethylethyl)dimethylsiloxy]pent-1-yl)cyclopentene
CID 13924073
Tert-butyl-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-dimethylsilane
CID 13924074

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane?
The IUPAC name of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane (CID 88770784) is [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane.
What is the SMILES notation for [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane?
The canonical SMILES for [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane is CCCCCCC=C[C@H]1CCC[C@@H]1CCCCC(CC)CO[Si](C)(C)C.
What is the InChIKey of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane?
The InChIKey is FENNMAWWKLXZDI-VYCPFJESSA-N. The full InChI is InChI=1S/C24H48OSi/c1-6-8-9-10-11-12-17-23-19-15-20-24(23)18-14-13-16-22(7-2)21-25-26(3,4)5/h12,17,22-24H,6-11,13-16,18-21H2,1-5H3/t22?,23-,24-/m0/s1.
What are the key properties of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane?
[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane has a molecular weight of 380.73 g/mol, XLogP of 8.37, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane is sourced from PubChem (CID 88770784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).