methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate

C24H46O3Si — CID 102135149

IUPACmethyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate
SMILESC=C[C@@H](CC(=O)OC)C[C@]1(O[Si](CC)(CC)CC)CCC[C@@H]1CCCCCC
InChIInChI=1S/C24H46O3Si/c1-7-12-13-14-16-22-17-15-18-24(22,27-28(9-3,10-4)11-5)20-21(8-2)19-23(25)26-6/h8,21-22H,2,7,9-20H2,1,3-6H3/t21-,22-,24+/m0/s1
InChIKeyPQCJRBBTEOOFAP-WPFOTENUSA-N
MW410.72 g/mol
LogP7.27
Rot. Bonds15

About methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate

methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate (PubChem CID 102135149) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate
PubChem CID102135149
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Namemethyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate
SMILESC=C[C@@H](CC(=O)OC)C[C@]1(O[Si](CC)(CC)CC)CCC[C@@H]1CCCCCC
InChIInChI=1S/C24H46O3Si/c1-7-12-13-14-16-22-17-15-18-24(22,27-28(9-3,10-4)11-5)20-21(8-2)19-23(25)26-6/h8,21-22H,2,7,9-20H2,1,3-6H3/t21-,22-,24+/m0/s1
InChIKeyPQCJRBBTEOOFAP-WPFOTENUSA-N
XLogP7.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 57.27
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'}

Analyze methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate with MolForge

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Related Compounds

methyl (3S)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate
CID 102135150
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
methyl 7-[2-hexyl-2-(hydroxymethyl)cyclopentyl]heptanoate
CID 70384554
methyl 3-hydroxy-7-[(1R,2R)-2-(3-hydroxyoctyl)cyclopentyl]-6-methylheptanoate
CID 57321159
4-octylspiro[4.5]decane
CID 139968258
methyl 2-[(1S,2S)-2-pentylcyclopentyl]acetate
CID 68845600
methyl 3,6-dimethyltetracosanoate
CID 568165
methyl 9-[(1R,2R)-2-butylcyclopentyl]nonanoate
CID 14389759
methyl 9-[(1S,2S)-2-butylcyclopentyl]nonanoate
CID 101259180
methyl 3-methylnonadecanoate
CID 71374081
methyl 6-methyl-7-[(1R,2S)-2-octylcyclopentyl]heptanoate
CID 57051162
methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate?
The IUPAC name of methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate (CID 102135149) is methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate.
What is the SMILES notation for methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate?
The canonical SMILES for methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate is C=C[C@@H](CC(=O)OC)C[C@]1(O[Si](CC)(CC)CC)CCC[C@@H]1CCCCCC.
What is the InChIKey of methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate?
The InChIKey is PQCJRBBTEOOFAP-WPFOTENUSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-7-12-13-14-16-22-17-15-18-24(22,27-28(9-3,10-4)11-5)20-21(8-2)19-23(25)26-6/h8,21-22H,2,7,9-20H2,1,3-6H3/t21-,22-,24+/m0/s1.
What are the key properties of methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate?
methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate has a molecular weight of 410.72 g/mol, XLogP of 7.27, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[(1R,2S)-2-hexyl-1-triethylsilyloxycyclopentyl]methyl]pent-4-enoate is sourced from PubChem (CID 102135149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).