nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate

C24H44O4 — CID 140892346

IUPACnonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCC(OCCOC2CCCCC2)CC1
InChIInChI=1S/C24H44O4/c1-2-3-4-5-6-7-11-18-28-24(25)21-14-16-23(17-15-21)27-20-19-26-22-12-9-8-10-13-22/h21-23H,2-20H2,1H3
InChIKeyFCNRGEAXLVOCKG-UHFFFAOYSA-N
MW396.61 g/mol
LogP6.20
Rot. Bonds14

About nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate

nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate (PubChem CID 140892346) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namenonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
PubChem CID140892346
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Namenonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCC(OCCOC2CCCCC2)CC1
InChIInChI=1S/C24H44O4/c1-2-3-4-5-6-7-11-18-28-24(25)21-14-16-23(17-15-21)27-20-19-26-22-12-9-8-10-13-22/h21-23H,2-20H2,1H3
InChIKeyFCNRGEAXLVOCKG-UHFFFAOYSA-N
XLogP6.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octyl 4-[2-(4-ethylcyclohexyl)oxyethoxy]cyclohexane-1-carboxylate
CID 140892371
nonyl cyclopentanecarboxylate
CID 575427
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
tetradecyl 4-(2-cyclohexyloxyethoxy)-2-methoxycyclohexane-1-carboxylate
CID 140892359
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604
4-O-(8-methylnonyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983845
4-O-(9-methyldecyl) 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 66984273

Frequently Asked Questions

What is the IUPAC name of nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
The IUPAC name of nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate (CID 140892346) is nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate is CCCCCCCCCOC(=O)C1CCC(OCCOC2CCCCC2)CC1.
What is the InChIKey of nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
The InChIKey is FCNRGEAXLVOCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O4/c1-2-3-4-5-6-7-11-18-28-24(25)21-14-16-23(17-15-21)27-20-19-26-22-12-9-8-10-13-22/h21-23H,2-20H2,1H3.
What are the key properties of nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate?
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate has a molecular weight of 396.61 g/mol, XLogP of 6.20, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 140892346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).