1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid

C17H28O4 — CID 54469920

IUPAC1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCC2(C(=O)O)CCCC2)CCCC1
InChIInChI=1S/C17H28O4/c18-14(19)16(10-4-5-11-16)8-2-1-3-9-17(15(20)21)12-6-7-13-17/h1-13H2,(H,18,19)(H,20,21)
InChIKeyXHOZBDBBRFDCBZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.23
Rot. Bonds8

About 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid

1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid (PubChem CID 54469920) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
PubChem CID54469920
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCC2(C(=O)O)CCCC2)CCCC1
InChIInChI=1S/C17H28O4/c18-14(19)16(10-4-5-11-16)8-2-1-3-9-17(15(20)21)12-6-7-13-17/h1-13H2,(H,18,19)(H,20,21)
InChIKeyXHOZBDBBRFDCBZ-UHFFFAOYSA-N
XLogP4.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-[11-(1-carboxycyclobutyl)undec-6-enyl]cyclobutane-1-carboxylic acid
CID 159161773
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
CID 159686887
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-(3-bromopropyl)cyclobutane-1-carboxylic acid
CID 18406028
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid (CID 54469920) is 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CCCCCC2(C(=O)O)CCCC2)CCCC1.
What is the InChIKey of 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid?
The InChIKey is XHOZBDBBRFDCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c18-14(19)16(10-4-5-11-16)8-2-1-3-9-17(15(20)21)12-6-7-13-17/h1-13H2,(H,18,19)(H,20,21).
What are the key properties of 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid?
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54469920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).