[2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane

C24H50O3Si2 — CID 603386

IUPAC[2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane
SMILESCOCCCCCCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC=C(C)C
InChIInChI=1S/C24H50O3Si2/c1-20(2)16-17-22-21(15-13-11-10-12-14-18-25-3)23(26-28(4,5)6)19-24(22)27-29(7,8)9/h16,21-24H,10-15,17-19H2,1-9H3
InChIKeySHOTZLWVOOVCPH-UHFFFAOYSA-N
MW442.83 g/mol
LogP7.41
Rot. Bonds14

About [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane

[2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane (PubChem CID 603386) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane
PubChem CID603386
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Name[2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane
SMILESCOCCCCCCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC=C(C)C
InChIInChI=1S/C24H50O3Si2/c1-20(2)16-17-22-21(15-13-11-10-12-14-18-25-3)23(26-28(4,5)6)19-24(22)27-29(7,8)9/h16,21-24H,10-15,17-19H2,1-9H3
InChIKeySHOTZLWVOOVCPH-UHFFFAOYSA-N
XLogP7.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
[(1S,3S)-5-(cyclohexen-1-yl)-3-methoxy-2,2-dimethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253915
[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253916
Cyclopentane, 2-methyl-1,4-bis[(trimethylsilyl)oxy]-3-(2-propenyl)-
CID 553469
Silane, [[4-(3-methyl-2-butenyl)-5-(8-methyl-7-nonenyl)-1,3-cyclopentanediyl]bis(oxy)]bis[trimethyl-
CID 628619
2-Ethyl-3,5-bis(trimethylsilyloxy)-1-[(3-trimethylsilyloxy)-1-propenyl]cyclopentane
CID 5374905
[(E,3S)-1-[(1R,2R,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(2Z)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienyl]cyclopentyl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 15549692
[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918223
[(1S,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918229
1-[(1R,2R,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[7-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienyl]cyclopentyl]oct-1-en-3-yloxy-tert-butyl-dimethylsilane
CID 70157110
[(3S)-1-[(1R,2R,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[7-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienyl]cyclopentyl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 70157113
[(3S)-1-[(1R,2R,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(2Z)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienyl]cyclopentyl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 70211723

Frequently Asked Questions

What is the IUPAC name of [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane?
The IUPAC name of [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane (CID 603386) is [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane is COCCCCCCCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC=C(C)C.
What is the InChIKey of [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane?
The InChIKey is SHOTZLWVOOVCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-20(2)16-17-22-21(15-13-11-10-12-14-18-25-3)23(26-28(4,5)6)19-24(22)27-29(7,8)9/h16,21-24H,10-15,17-19H2,1-9H3.
What are the key properties of [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane?
[2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane has a molecular weight of 442.83 g/mol, XLogP of 7.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-methoxyheptyl)-3-(3-methylbut-2-enyl)-4-trimethylsilyloxycyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 603386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).