2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate

C19H34O5 — CID 66983200

IUPAC2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
SMILESCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCO
InChIInChI=1S/C19H34O5/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17,20H,2-15H2,1H3
InChIKeyAIWNSRQXCRFMPX-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.62
Rot. Bonds12

About 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate

2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate (PubChem CID 66983200) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
PubChem CID66983200
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
SMILESCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCO
InChIInChI=1S/C19H34O5/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17,20H,2-15H2,1H3
InChIKeyAIWNSRQXCRFMPX-UHFFFAOYSA-N
XLogP3.62
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206
1-O-propyl 2-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 69474239
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
2-O-(2-methoxyethyl) 1-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 91721705
2-O-(2-chloroethyl) 1-O-octyl cyclohexane-1,2-dicarboxylate
CID 91721777
2-O-(2-chloroethyl) 1-O-undecyl cyclohexane-1,2-dicarboxylate
CID 91722283
cis-tetradecyl (1S,2R)-2-carbonochloridoylcyclohexane-1-carboxylate
CID 139880167
2-O-(5-methylhexyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
CID 66984027
2-O-(2-methylpropyl) 1-O-tridecyl cyclohexane-1,2-dicarboxylate
CID 69470644
2-O-(9-methyldecyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate
CID 66984129
2-O-(10-methylundecyl) 1-O-undecyl cyclohexane-1,2-dicarboxylate
CID 66984082

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate?
The IUPAC name of 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate (CID 66983200) is 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate is CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCO.
What is the InChIKey of 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate?
The InChIKey is AIWNSRQXCRFMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17,20H,2-15H2,1H3.
What are the key properties of 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate?
2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate has a molecular weight of 342.48 g/mol, XLogP of 3.62, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-hydroxyethyl) 1-O-nonyl cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 66983200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).