ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid

C25H49NO4 — CID 145356488

IUPACethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid
SMILESCC.CC1(CCCC/C=C\CCCC2(C(=O)O)CCCC2)CCCC1.CN.O=CO
InChIInChI=1S/C21H36O2.C2H6.CH5N.CH2O2/c1-20(14-9-10-15-20)13-7-5-3-2-4-6-8-16-21(19(22)23)17-11-12-18-21;2*1-2;2-1-3/h2,4H,3,5-18H2,1H3,(H,22,23);1-2H3;2H2,1H3;1H,(H,2,3)/b4-2-;;;
InChIKeyTXPUEWYFMZTHCH-GCOIFOBGSA-N
MW427.67 g/mol
LogP6.80
Rot. Bonds10

About ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid

ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid (PubChem CID 145356488) has the molecular formula C25H49NO4 and a molecular weight of 427.67 g/mol. Its IUPAC name is ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid
PubChem CID145356488
Molecular FormulaC25H49NO4
Molecular Weight427.67 g/mol
Exact Mass427.37
IUPAC Nameethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid
SMILESCC.CC1(CCCC/C=C\CCCC2(C(=O)O)CCCC2)CCCC1.CN.O=CO
InChIInChI=1S/C21H36O2.C2H6.CH5N.CH2O2/c1-20(14-9-10-15-20)13-7-5-3-2-4-6-8-16-21(19(22)23)17-11-12-18-21;2*1-2;2-1-3/h2,4H,3,5-18H2,1H3,(H,22,23);1-2H3;2H2,1H3;1H,(H,2,3)/b4-2-;;;
InChIKeyTXPUEWYFMZTHCH-GCOIFOBGSA-N
XLogP6.80
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.67
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[11-(1-carboxycyclobutyl)undec-6-enyl]cyclobutane-1-carboxylic acid
CID 159161773
1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
CID 159686887
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
CID 168783124
1-(3-bromopropyl)cyclobutane-1-carboxylic acid
CID 18406028
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-[(octadec-9-enylamino)methyl]cyclohexane-1-carboxylic acid
CID 54131108
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid?
The IUPAC name of ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid (CID 145356488) is ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid is CC.CC1(CCCC/C=C\CCCC2(C(=O)O)CCCC2)CCCC1.CN.O=CO.
What is the InChIKey of ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid?
The InChIKey is TXPUEWYFMZTHCH-GCOIFOBGSA-N. The full InChI is InChI=1S/C21H36O2.C2H6.CH5N.CH2O2/c1-20(14-9-10-15-20)13-7-5-3-2-4-6-8-16-21(19(22)23)17-11-12-18-21;2*1-2;2-1-3/h2,4H,3,5-18H2,1H3,(H,22,23);1-2H3;2H2,1H3;1H,(H,2,3)/b4-2-;;;.
What are the key properties of ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid?
ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid has a molecular weight of 427.67 g/mol, XLogP of 6.80, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 145356488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).