decyl cyclohexanecarboxylate

C17H32O2 — CID 582158

IUPACdecyl cyclohexanecarboxylate
SMILESCCCCCCCCCCOC(=O)C1CCCCC1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h16H,2-15H2,1H3
InChIKeyMOZHOBFQUILDKL-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.25
Rot. Bonds10

About decyl cyclohexanecarboxylate

decyl cyclohexanecarboxylate (PubChem CID 582158) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is decyl cyclohexanecarboxylate.

Molecular Properties

Compound Namedecyl cyclohexanecarboxylate
PubChem CID582158
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Namedecyl cyclohexanecarboxylate
SMILESCCCCCCCCCCOC(=O)C1CCCCC1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h16H,2-15H2,1H3
InChIKeyMOZHOBFQUILDKL-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.25
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

CID 7641
CID 7641
CID 18686
CID 18686
CID 20748
CID 20748
CID 16255
CID 16255
CID 75320
CID 75320
CID 12588
CID 12588
CID 7642
CID 7642
CID 33733
CID 33733
CID 61466
CID 61466
CID 61386
CID 61386
CID 3019031
CID 3019031
CID 31218
CID 31218

Frequently Asked Questions

What is the IUPAC name of decyl cyclohexanecarboxylate?
The IUPAC name of decyl cyclohexanecarboxylate (CID 582158) is decyl cyclohexanecarboxylate.
What is the SMILES notation for decyl cyclohexanecarboxylate?
The canonical SMILES for decyl cyclohexanecarboxylate is CCCCCCCCCCOC(=O)C1CCCCC1.
What is the InChIKey of decyl cyclohexanecarboxylate?
The InChIKey is MOZHOBFQUILDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h16H,2-15H2,1H3.
What are the key properties of decyl cyclohexanecarboxylate?
decyl cyclohexanecarboxylate has a molecular weight of 268.44 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl cyclohexanecarboxylate is sourced from PubChem (CID 582158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).