2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate

C23H42O3 — CID 153456042

IUPAC2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate
SMILESCCCCCCCCC(=O)OCCOC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C23H42O3/c1-2-3-4-5-6-10-13-23(24)26-19-18-25-22-16-14-21(15-17-22)20-11-8-7-9-12-20/h20-22H,2-19H2,1H3
InChIKeyZKBVSTOMXAPNRO-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.44
Rot. Bonds12

About 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate

2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate (PubChem CID 153456042) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate
PubChem CID153456042
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate
SMILESCCCCCCCCC(=O)OCCOC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C23H42O3/c1-2-3-4-5-6-10-13-23(24)26-19-18-25-22-16-14-21(15-17-22)20-11-8-7-9-12-20/h20-22H,2-19H2,1H3
InChIKeyZKBVSTOMXAPNRO-UHFFFAOYSA-N
XLogP6.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-cyclohexylcyclohexyl)oxyethoxy]ethoxy]ethyl octadecanoate
CID 153455988
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
hexyl 8-[[8-(4-cyclohexylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 155278487
heptyl 2-(4-cyclohexylcyclohexyl)acetate
CID 140795418
cycloheptylmethyl tridecanoate
CID 54548120
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
6-O-(cyclopentylmethyl) 1-O-pentadecyl hexanedioate
CID 91713281
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-pentoxyethyl hexadecanoate
CID 139604749

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate?
The IUPAC name of 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate (CID 153456042) is 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate.
What is the SMILES notation for 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate?
The canonical SMILES for 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate is CCCCCCCCC(=O)OCCOC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate?
The InChIKey is ZKBVSTOMXAPNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3/c1-2-3-4-5-6-10-13-23(24)26-19-18-25-22-16-14-21(15-17-22)20-11-8-7-9-12-20/h20-22H,2-19H2,1H3.
What are the key properties of 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate?
2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate has a molecular weight of 366.59 g/mol, XLogP of 6.44, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexyl)oxyethyl nonanoate is sourced from PubChem (CID 153456042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).