nonyl cyclopentanecarboxylate

C15H28O2 — CID 575427

IUPACnonyl cyclopentanecarboxylate
SMILESCCCCCCCCCOC(=O)C1CCCC1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-10-13-17-15(16)14-11-8-9-12-14/h14H,2-13H2,1H3
InChIKeyNSFOROSSLARBIV-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds9

About nonyl cyclopentanecarboxylate

nonyl cyclopentanecarboxylate (PubChem CID 575427) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is nonyl cyclopentanecarboxylate.

Molecular Properties

Compound Namenonyl cyclopentanecarboxylate
PubChem CID575427
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namenonyl cyclopentanecarboxylate
SMILESCCCCCCCCCOC(=O)C1CCCC1
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-10-13-17-15(16)14-11-8-9-12-14/h14H,2-13H2,1H3
InChIKeyNSFOROSSLARBIV-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
3-O-heptyl 1-O-undecyl cyclohexane-1,3-dicarboxylate
CID 91536693
3-O-pentyl 1-O-tridecyl cyclohexane-1,3-dicarboxylate
CID 90979250
3-O-butyl 1-O-octyl cyclohexane-1,3-dicarboxylate
CID 66983586
3-O-butyl 1-O-decyl cyclohexane-1,3-dicarboxylate
CID 66983365
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
3-O-butyl 1-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66984581
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396

Frequently Asked Questions

What is the IUPAC name of nonyl cyclopentanecarboxylate?
The IUPAC name of nonyl cyclopentanecarboxylate (CID 575427) is nonyl cyclopentanecarboxylate.
What is the SMILES notation for nonyl cyclopentanecarboxylate?
The canonical SMILES for nonyl cyclopentanecarboxylate is CCCCCCCCCOC(=O)C1CCCC1.
What is the InChIKey of nonyl cyclopentanecarboxylate?
The InChIKey is NSFOROSSLARBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-10-13-17-15(16)14-11-8-9-12-14/h14H,2-13H2,1H3.
What are the key properties of nonyl cyclopentanecarboxylate?
nonyl cyclopentanecarboxylate has a molecular weight of 240.39 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl cyclopentanecarboxylate is sourced from PubChem (CID 575427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).