1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate

C15H26O5 — CID 91694196

IUPAC1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
SMILESCOCCOC(=O)C1CCCCC1C(=O)OCC(C)C
InChIInChI=1S/C15H26O5/c1-11(2)10-20-15(17)13-7-5-4-6-12(13)14(16)19-9-8-18-3/h11-13H,4-10H2,1-3H3
InChIKeyRJQDUFPAHZVVGG-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.18
Rot. Bonds7

About 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate

1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate (PubChem CID 91694196) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
PubChem CID91694196
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
SMILESCOCCOC(=O)C1CCCCC1C(=O)OCC(C)C
InChIInChI=1S/C15H26O5/c1-11(2)10-20-15(17)13-7-5-4-6-12(13)14(16)19-9-8-18-3/h11-13H,4-10H2,1-3H3
InChIKeyRJQDUFPAHZVVGG-UHFFFAOYSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diisononyl hexahydrophthalate
CID 11524680
Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester
CID 21660
1,2-Diethyl 1,2-cyclohexanedicarboxylate
CID 24990
1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
CID 6784
1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
CID 116722
rac-(1R,2S)-2-(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 243779
rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate
CID 642993
Dimethyl cyclohexane-1,2-dicarboxylate
CID 286462
Ethyl 2-oxocyclohexylacetate
CID 91229
Dipropyl cyclohexane-1,2-dicarboxylate
CID 348849
Dibutyl cyclohexane-1,2-dicarboxylate
CID 348850
Dinonyl cyclohexane-1,2-dicarboxylate
CID 12151622

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate (CID 91694196) is 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate is COCCOC(=O)C1CCCCC1C(=O)OCC(C)C.
What is the InChIKey of 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate?
The InChIKey is RJQDUFPAHZVVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-11(2)10-20-15(17)13-7-5-4-6-12(13)14(16)19-9-8-18-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate?
1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methoxyethyl) 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 91694196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).