[2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium

C34H55IN+ — CID 58301014

IUPAC[2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium
SMILESC=CC1CC(C=C)C(CCCCC2CC(/C=C\C3CC(C=C)CC3(CI)C[N+](C)(C)C)CC2C=C)C1
InChIInChI=1S/C34H55IN/c1-8-26-18-29(10-3)31(19-26)14-12-13-15-32-21-28(20-30(32)11-4)16-17-33-22-27(9-2)23-34(33,24-35)25-36(5,6)7/h8-11,16-17,26-33H,1-4,12-15,18-25H2,5-7H3/q+1/b17-16-
InChIKeyHZESNFZIJWXPDW-MSUUIHNZSA-N
MW604.73 g/mol
LogP9.29
Rot. Bonds14

About [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium

[2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium (PubChem CID 58301014) has the molecular formula C34H55IN+ and a molecular weight of 604.73 g/mol. Its IUPAC name is [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium.

Molecular Properties

Compound Name[2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium
PubChem CID58301014
Molecular FormulaC34H55IN+
Molecular Weight604.73 g/mol
Exact Mass604.34
IUPAC Name[2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium
SMILESC=CC1CC(C=C)C(CCCCC2CC(/C=C\C3CC(C=C)CC3(CI)C[N+](C)(C)C)CC2C=C)C1
InChIInChI=1S/C34H55IN/c1-8-26-18-29(10-3)31(19-26)14-12-13-15-32-21-28(20-30(32)11-4)16-17-33-22-27(9-2)23-34(33,24-35)25-36(5,6)7/h8-11,16-17,26-33H,1-4,12-15,18-25H2,5-7H3/q+1/b17-16-
InChIKeyHZESNFZIJWXPDW-MSUUIHNZSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(ethenyl)-2-heptylcyclopentane
CID 140793772
1,4-bis(ethenyl)-2-ethylcyclopentane;1,2,4-triethylcyclopentane
CID 159880976
[4-ethenyl-2-[(Z)-2-[3-ethenyl-4-(oxiran-2-ylmethoxymethyl)cyclopentyl]ethenyl]cyclopentyl]methanamine;methane
CID 159139500
1,4-bis(ethenyl)-2-ethylcyclohexane
CID 142317561
1-ethenyl-2-octylcyclobutane
CID 173458282
1-ethenyl-2-octylcyclobutane;tetradec-1-ene
CID 173458281
1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane
CID 91372204
1-[[2,4-bis(ethenyl)cyclopentyl]methyl]-2,3,4,5-tetramethylimidazol-3-ium
CID 58114598
1-tert-butyl-2,4-bis(ethenyl)cyclopentane
CID 58961448
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
3-ethenyl-4-nonyloxolane
CID 23010493
[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium?
The IUPAC name of [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium (CID 58301014) is [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium.
What is the SMILES notation for [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium?
The canonical SMILES for [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium is C=CC1CC(C=C)C(CCCCC2CC(/C=C\C3CC(C=C)CC3(CI)C[N+](C)(C)C)CC2C=C)C1.
What is the InChIKey of [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium?
The InChIKey is HZESNFZIJWXPDW-MSUUIHNZSA-N. The full InChI is InChI=1S/C34H55IN/c1-8-26-18-29(10-3)31(19-26)14-12-13-15-32-21-28(20-30(32)11-4)16-17-33-22-27(9-2)23-34(33,24-35)25-36(5,6)7/h8-11,16-17,26-33H,1-4,12-15,18-25H2,5-7H3/q+1/b17-16-.
What are the key properties of [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium?
[2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium has a molecular weight of 604.73 g/mol, XLogP of 9.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-2-[3-[4-[2,4-bis(ethenyl)cyclopentyl]butyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-(iodomethyl)cyclopentyl]methyl-trimethylazanium is sourced from PubChem (CID 58301014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).